SCHEMBL8010779

SCHEMBL8010779

Fc1cccc(P(Cc2ccc3ccccc3c2-c2c(CP(c3cccc(F)c3)c3cccc(F)c3)ccc3ccccc23)c2cccc(F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.36
CYP1B1 Q16678 4/20 0.36
CYP1A1 P04798 3/20 0.36
CYP2A6 P11509 2/20 0.34
PRKDC P78527 1/20 0.34
HPRT1 P00492 1/20 0.33
AHR P35869 1/20 0.33
CES1 P23141 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
P2RX7 Q99572 1/20 0.31
KCNJ11 Q14654 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8029934 0.92 CYP1A2 (0.34) CYP1A2CYP1B1CYP1A1CYP2A6PRKDC
SCHEMBL6420832 0.88 CYP2A6 (0.36) CYP1A2CYP1B1CYP2A6HPRT1AHR
SCHEMBL8056031 0.84 CES1 (0.36) CYP1A2CYP2A6HPRT1CES1ALDH1A1
SCHEMBL8022208 0.83 CES1 (0.37) CYP1A2CYP2A6HPRT1CES1ALDH1A1
SCHEMBL29447338 0.82 ALDH1A1 (0.39) CYP1B1CYP2A6HPRT1ALDH1A1HSD17B10
SCHEMBL3955072 0.82 ALDH1A1 (0.39) CYP1B1CYP2A6HPRT1ALDH1A1HSD17B10
SCHEMBL29695262 0.81 ALDH1A1 (0.38) CYP1B1CYP2A6HPRT1ALDH1A1HSD17B10
SCHEMBL6418430 0.81 HPRT1 (0.38) CYP1A2CYP1B1CYP1A1CYP2A6HPRT1
Potassium SCHEMBL29695394 0.80 WDR5 (0.37) CYP1B1CYP2A6HPRT1ALDH1A1HSD17B10
SCHEMBL8020531 0.78 CYP2A6 (0.37) CYP1A2CYP1B1CYP2A6HPRT1AHR

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