SCHEMBL1626841

SCHEMBL1626841

O=C1CCCCCCCCCCCN1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HPGD P15428 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
AKR1C3 P42330 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
RAB9A P51151 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL329316 1.00 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL76559 0.98 ALDH1A1 (0.59) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7459714 0.96 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL136476 0.92 ALDH1A1 (0.67) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7466356 0.90 ALDH1A1 (0.65) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL22129658 0.90 BRD4 (0.50) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
Pyridine SCHEMBL28869905 0.88 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL1023898 0.83 L3MBTL1 (0.61) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL136822 0.83 NPC1 (0.60) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL29277841 0.82 ALDH1A1 (0.57) ALDH1A1HPGDAKR1C3L3MBTL1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752445-B1 Rubber compositions for tire tread BRIDGESTONE CORP (JP) 2002-08-21 EP claimed
US-6187843-B1 BLEND OF RUBBER WITH NITROGEN-CONTAINING COMPOUND BRIDGESTONE CORPORATION (JP) 2001-02-13 US claimed
EP-0752445-A2 Rubber compositions for tire tread Bridgestone Corporation (JP) 1997-01-08 EP claimed
US-10189987-B2 Pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-01-29 US disclosed
EP-3064546-B1 PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-08-29 EP disclosed
US-10053526-B2 Catalyst for conjugated diene polymerization, conjugated diene polymer, modified conjugated diene polymer, polybutadiene, and compositions comprising foregoing UBE INDUSTRIES, LTD. (JP) 2018-08-21 US disclosed
US-9932460-B2 Rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2018-04-03 US disclosed
EP-2004744-B1 COMPOSITION INCLUDING MULTIPLE FUNCTIONALIZED POLYMERS BRIDGESTONE CORP (JP) 2017-12-06 EP disclosed
US-20170158786-A1 CATALYST FOR CONJUGATED DIENE POLYMERIZATION, CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, POLYBUTADIENE, AND COMPOSITIONS COMPRISING FOREGOING UBE INDUSTRIES, LTD. (JP) 2017-06-08 US disclosed
US-9493629-B2 Modified butadiene-based polymer composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-11-15 US disclosed
US-9493638-B2 Rubber composition for tire THE YOKOHAMA RUBBER CO., LTD. (JP) 2016-11-15 US disclosed
US-5217839-A Dispersion containing mixture of a polymer with a carbon nitrogen double bond and a colorant in a vinyl monomer NIPPON ZEON CO., LTD. (JP) 1993-06-08 US disclosed
US-5216080-A Butadiene-styrene copolymers endcapped with N-modified amino ketones, thioamino ketones, thioamino aldehydes, lactams, thiolactams, ethyleneurea and thioethylene urea; wear resistant, large-sized tires NIPPON ZEON CO., LTD. (JP) 1993-06-01 US disclosed
US-5155161-A Living polymer modified by lactam, urea, amino ketone or aldehyde or thio analogs, followed by hydrolysis NIPPON ZEON CO., LTD. (JP) 1992-10-13 US disclosed
EP-0488346-A1 Process for preparation of styrene resin composition and styrene resin composition NIPPON ZEON CO., LTD. (JP) 1992-06-03 EP disclosed
EP-0438248-A2 Preparation process of toner NIPPON ZEON CO., LTD. (JP) 1991-07-24 EP disclosed
EP-0435544-A2 Abrasion-resistant rubber compositions NIPPON ZEON CO., LTD. (JP) 1991-07-03 EP disclosed
EP-0434353-A2 Rubber compositions NIPPON ZEON CO., LTD. (JP) 1991-06-26 EP disclosed
US-5001196-A Process for preparation of diene type polymer rubber NIPPON ZEON CO., LTD. (JP) 1991-03-19 US disclosed
EP-0388921-A2 Additive for organic solvent or thermoplastic polymer NIPPON ZEON CO., LTD. (JP) 1990-09-26 EP disclosed