SCHEMBL2589220

SCHEMBL2589220

C=CCNC(CC)CCC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.30
CNR1 P21554 1/20 0.30
ADRA1A P35348 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16595519 1.00 TAS1R3 (0.32) TAS1R3TAS1R1TSHRLMNACNR1
SCHEMBL18380192 0.87 ALDH1A1 (0.36) TSHRTDP1
SCHEMBL4193068 0.85
SCHEMBL11807095 0.83 TAS1R3 (0.30) TAS1R3TAS1R1
SCHEMBL9342208 0.83
SCHEMBL29013827 0.81 ALPL (0.31)
SCHEMBL11812142 0.81
SCHEMBL11296577 0.79
SCHEMBL8846437 0.79 LMNA (0.31) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL19302134 0.78 TSHR (0.39) TAS1R3TAS1R1TSHRLMNACNR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3127988-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2018-03-14 EP disclosed
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
EP-3127988-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2017-02-08 EP disclosed
CN-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN disclosed
US-8293832-B2 Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20110275755-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed
CN-102234359-A Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL CO 2011-11-09 CN disclosed