SCHEMBL8618099

SCHEMBL8618099

O=C(CCCO)c1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
CHRNB2 P17787 3/20 0.49
CHRNB4 P30926 3/20 0.49
CHRNA3 P32297 3/20 0.49
CHRNA4 P43681 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HNF4A P41235 1/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
PPARG P37231 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN1A P35498 1/20 0.42

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
SCHEMBL11507229 0.89 BCAT2 (0.57) BCAT2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8148053 0.86 LTB4R2 (0.55) BCAT2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30522208 0.86 LTB4R2 (0.55) BCAT2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8820695 0.84 BCAT2 (0.53) BCAT2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9551671 0.84 SOAT1 (0.56) BCAT2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10790803 0.83 SMN1; SMN2 (0.56) BCAT2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11244471 0.83 BCAT2 (0.60) BCAT2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28743866 0.83 SOAT1 (0.58) BCAT2MEN1KMT2ASMN1; SMN2HTT
SCHEMBL28003347 0.83 SOAT1 (0.58) BCAT2MEN1KMT2ASMN1; SMN2HTT
SCHEMBL4446464 0.82 GPR52 (0.48) BCAT2CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807899-A Triphenylethylenes, process for their production, pharmaceutical preparations that contain these triphenylethylenes as well as their use for the production of pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
EP-0839130-A1 TRIPHENYL ETHYLENES WITH ANTI-OESTROGENIC PROPERTIES SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-06 EP disclosed
WO-1997003046-A1 TRIPHENYL ETHYLENES WITH ANTI-OESTROGENIC PROPERTIES SCHERING AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed