SCHEMBL8010374

SCHEMBL8010374

Cc1ccccc1P(Cc1ccc2ccccc2c1-c1c(CP(c2ccccc2C)c2ccccc2C)ccc2ccccc12)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
TYMP P19971 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
SCHEMBL8059160 0.93 CYP2A6 (0.36) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL8832798 0.92 CYP2A6 (0.35) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL8056040 0.85 ACP3 (0.35) CYP2A6ALDH1A1CYP1A2HSD17B10CYP2C19
SCHEMBL8029700 0.84 CYP2A6 (0.36) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL8022927 0.81 HPRT1 (0.36) CYP2A6ALDH1A1TSHRHSD17B10HPGD
SCHEMBL23261750 0.79 TAAR1 (0.36) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL1423533 0.79 CYP2A6 (0.34) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL8020132 0.78 CYP2A6 (0.41) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL6419128 0.77 CYP2A6 (0.38) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL8023619 0.77 MAPT (0.36) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10

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-0653432-B1 Process for preparing bis-(diaryl-alkyl)-phosphines and derivatives of this class of substances CELANESE CHEM EUROPE GMBH (DE) 2000-02-09 EP claimed
US-5600006-A Bis(diarylalkyl)phosphines HOECHST A.G. (DE) 1997-02-04 US claimed
EP-0653432-A1 Process for preparing bis-(diaryl-alkyl)-phosphines and novel derivatives of this class of substances HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-17 EP claimed
EP-0653432-B1 Process for preparing bis-(diaryl-alkyl)-phosphines and derivatives of this class of substances CELANESE CHEM EUROPE GMBH (DE) 2000-02-09 EP disclosed
US-5600006-A Bis(diarylalkyl)phosphines HOECHST A.G. (DE) 1997-02-04 US disclosed
EP-0653432-A1 Process for preparing bis-(diaryl-alkyl)-phosphines and novel derivatives of this class of substances HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-17 EP disclosed