SCHEMBL4622945

SCHEMBL4622945

CC1=C(c2cccc3ccccc23)c2c(cccc2CCc2cccc3c2C(c2cccc4ccccc24)=C(C)[CH]3)[CH]1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
DHFR P00374 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
AKR1B1 P15121 1/20 0.35
CYP2A6 P11509 1/20 0.34
POLB P06746 2/20 0.34
CYP2C9 P11712 1/20 0.34
DAO P14920 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33
NQO2 P16083 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL5081775 0.91 ALDH1A1 (0.38) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL4622627 0.83 CYP1A2 (0.34) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL714807 0.79 ALDH1A1 (0.42) ALDH1A1HPGDDHFRCYP2A6POLB
SCHEMBL6651463 0.78 DHFR (0.38) ALDH1A1MAPTHPGDDHFRCYP2A6
SCHEMBL7030492 0.76 DHFR (0.38) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL8154866 0.75 MAOA (0.39) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL5599459 0.73 DHFR (0.41) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL5689656 0.72 KDM4E (0.38) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL2967063 0.70 GPR84 (0.36) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL5691721 0.69 DNMT1 (0.39) ALDH1A1MAPTDHFRCYP2A6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954724-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS ExxonMobil Chemical Patents Inc. (US) 2008-08-13 EP disclosed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
WO-2007061525-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-31 WO disclosed
EP-1753796-A1 MULTIPLE CATALYST AND REACTOR SYSTEM FOR OLEFIN POLYMERIZATION AND POLYMERS PRODUCED THEREFROM ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2007-02-21 EP disclosed
WO-2005113622-A1 MULTIPLE CATALYST AND REACTOR SYSTEM FOR OLEFIN POLYMERIZATION AND POLYMERS PRODUCED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-12-01 WO disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 EP disclosed