SCHEMBL3965890

SCHEMBL3965890

[Li]C1C(C)=Cc2c1ccc1ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
CYP2A6 P11509 3/20 0.42
KDM4E B2RXH2 3/20 0.40
TSHR P16473 4/20 0.39
CYP1A2 P05177 4/20 0.39
HSD17B10 Q99714 7/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 5/20 0.38
HPRT1 P00492 1/20 0.37
MAPK1 P28482 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 2/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
CYP1B1 Q16678 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL5860453 0.83 ALDH1A1 (0.37) ALDH1A1CYP2A6KDM4EHPGDMAPK1
SCHEMBL9249191 0.80 ALDH1A1 (0.41) ALDH1A1CYP2A6KDM4ETSHRCYP1A2
SCHEMBL8673527 0.80 CYP2A6 (0.42) ALDH1A1CYP2A6KDM4ETSHRCYP1A2
Hydrochloric Acid SCHEMBL4063684 0.79 ALDH1A1 (0.39) ALDH1A1CYP2A6KDM4ETSHRCYP1A2
Hydrochloric Acid SCHEMBL6064180 0.79 CYP2A6 (0.41) ALDH1A1CYP2A6KDM4ETSHRCYP1A2
SCHEMBL5609091 0.79 KDM4E (0.41) ALDH1A1CYP2A6KDM4ETSHRCYP1A2
SCHEMBL7037711 0.79 KDM4E (0.41) ALDH1A1CYP2A6KDM4ETSHRCYP1A2
Hydrochloric Acid SCHEMBL7734464 0.79 ALDH1A1 (0.39) ALDH1A1CYP2A6KDM4ETSHRCYP1A2
Hydrochloric Acid SCHEMBL3092658 0.79 ALDH1A1 (0.39) ALDH1A1CYP2A6KDM4ETSHRCYP1A2
SCHEMBL7038278 0.79 KDM4E (0.41) ALDH1A1CYP2A6KDM4ETSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471085-B1 NON-RIGID PROPYLENE RESIN COMPOSITION MITSUBISHI CHEM CORP (JP) 2009-07-29 EP disclosed
EP-1860130-A1 Soft propylene-based resin composition Mitsubishi Chemical Corporation (JP) 2007-11-28 EP disclosed
EP-1860129-A1 Soft propylene-based resin composition Mitsubishi Chemical Corporation (JP) 2007-11-28 EP disclosed
EP-1153944-B1 PROPYLENE POLYMER, MOLDED OBJECT THEREOF IDEMITSU KOSAN CO (JP) 2007-01-31 EP disclosed
US-20060270794-A1 Soft propylene-based resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 2006-11-30 US disclosed
US-7105604-B2 Soft propylene-based resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 2006-09-12 US disclosed
US-20050131160-A1 Gas phase propylene homopolymerization to give an isotactic block with head-to-tail bonding followed by copolymerization of ethylene and propylene; improved flexibility, transparency, and heat resistance MITSUBISHI CHEMICAL CORPORATION (JP) 2005-06-16 US disclosed
EP-1471085-A1 NON-RIGID PROPYLENE RESIN COMPOSITION Mitsubishi Chemical Corporation (JP) 2004-10-27 EP disclosed
US-6800706-B1 TRANSPARENT, LOW-TEMPERATURE HEAT-SEALABILITY AND WEAR RESISTANCE; WRAPPING AND PACKAGING FILMS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-10-05 US disclosed
EP-0773237-B1 Olefin polymerization catalyst system MITSUI CHEMICALS INC (JP) 2004-02-18 EP disclosed
EP-1153944-A1 PROPYLENE POLYMER, MOLDED OBJECT THEREOF, AND PROCESS FOR PRODUCING PROPYLENE POLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-11-14 EP disclosed
US-6063725-A CATALYST COMPRISING ORGANIC TRANSITION METAL COMPOUND AND SEPARATE SUPPORT COMPRISING ORGANIC CARBONYL-CONTAINING COMPOUND AND ORGANIC ALUMINUM OXY COMPOUND MITSUI CHEMICALS, INC. (JP) 2000-05-16 US disclosed
EP-0773237-A1 Olefin polymerization catalyst system MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-05-14 EP disclosed