SCHEMBL8201324

SCHEMBL8201324

Cc1cc(C)c2c(C)cccc2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.48
CYP2A6 P11509 4/20 0.48
ALDH1A1 P00352 5/20 0.41
AHR P35869 1/20 0.39
TSHR P16473 3/20 0.38
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PSMD14 O00487 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPA1 O75762 2/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL598808 0.81 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1AHRTSHR
SCHEMBL21240663 0.78 CYP1A2 (0.43) CYP1A2CYP2A6ALDH1A1AHRTSHR
SCHEMBL2300447 0.75 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1AHRTSHR
SCHEMBL31374647 0.75 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1AHRTSHR
SCHEMBL10434554 0.74 CYP1A2 (0.58) CYP1A2CYP2A6ALDH1A1AHRTSHR
SCHEMBL598068 0.74 CYP1A2 (0.67) CYP1A2CYP2A6ALDH1A1AHRTSHR
SCHEMBL29378790 0.74 CYP1A2 (0.67) CYP1A2CYP2A6ALDH1A1AHRTSHR
SCHEMBL20375922 0.73 TSHR (0.56) CYP1A2CYP2A6ALDH1A1AHRTSHR
SCHEMBL19915326 0.73 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1AHRTSHR
SCHEMBL29845550 0.72 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1AHRTSHR

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-0611743-B2 Process for producing alpha-olefin oligomer compositions MITSUBISHI CHEM CORP (JP) 2000-08-09 EP disclosed
WO-1999043650-A2 PROCESS(ES) FOR THE PREPARATION OF 6-TRIFLUOROMETHYL-INDOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-09-02 WO disclosed
EP-0706983-B1 Process for producing alpha-olefin oligomers MITSUBISHI CHEM CORP (JP) 1998-08-19 EP disclosed
US-5750817-A POLYMERIZATION CATALYSTS FOR OLEFINS USING CATALYSTS OF CHROMIUM, AMINE AND ALUMINUM COORDINATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-12 US disclosed
EP-0706983-A1 Process for producing alpha-olefin oligomers MITSUBISHI CHEMICAL CORPORATION (JP) 1996-04-17 EP disclosed
EP-0611743-A2 Process for producing alpha-olefin oligomer compositions Mitsubishi Chemical Corporation (JP) 1994-08-24 EP disclosed