SCHEMBL8020528

SCHEMBL8020528

Fc1ccc(C(P)(c2ccc(F)cc2F)c2ccc3ccccc3c2-c2c(C(P)(c3ccc(F)cc3F)c3ccc(F)cc3F)ccc3ccccc23)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPRT1 P00492 2/20 0.39
MAPK14 Q16539 1/20 0.38
TRPA1 O75762 1/20 0.38
KCNN4 O15554 1/20 0.37
CES1 P23141 2/20 0.36
KCNJ11 Q14654 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 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
SCHEMBL6423409 0.86 HPRT1 (0.40) CYP2A6CYP1A2HPRT1CES1KCNJ11
SCHEMBL8022924 0.85 HPRT1 (0.38) CYP2A6CYP1A2HPRT1CES1KCNJ11
SCHEMBL8022205 0.81 KCNJ11 (0.41) CYP2A6CYP1A2HPRT1CES1KCNJ11
SCHEMBL8010776 0.80 KCNJ11 (0.39) CYP2A6CYP1A2HPRT1KCNN4CES1
SCHEMBL6418428 0.79 HPRT1 (0.40) CYP2A6CYP1A2HPRT1CES1KCNJ11
SCHEMBL6420827 0.79 CYP1A2 (0.37) CYP2A6CYP1A2HPRT1CES1KCNJ11
SCHEMBL8023349 0.78 HPRT1 (0.35) CYP2A6CYP1A2HPRT1CES1ALDH1A1
SCHEMBL8011621 0.76 HSD11B1 (0.42) CYP2A6CYP1A2HPRT1KCNJ11CYP11B1
SCHEMBL6424095 0.76 HSD17B10 (0.37) CYP2A6CYP1A2HPRT1CES1KCNJ11
SCHEMBL6419265 0.73 P2RX1 (0.41) CYP2A6CYP1A2KCNJ11ALDH1A1HSD17B10

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