SCHEMBL9635381

SCHEMBL9635381

C=C(C)Cc1ccc(-c2ccc(O)cc2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.44
ESR2 Q92731 10/20 0.44
AR P10275 1/20 0.44
MMP3 P08254 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD17B1 P14061 1/20 0.39
ESRRB O95718 1/20 0.35
ESRRA P11474 1/20 0.35
USP7 Q93009 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL9636799 0.87 AR (0.39) ESR1ESR2ARESRRBESRRA
SCHEMBL9635428 0.83 HSD17B10 (0.41)
SCHEMBL13756111 0.78 FFAR1 (0.36) AR
SCHEMBL9635251 0.73 ALDH1A1 (0.47)
SCHEMBL13756110 0.72 TSHR (0.42)
SCHEMBL2785589 0.68 AR (0.57) ESR1ESR2ARMMP3HSD17B1
SCHEMBL5067426 0.68 AR (0.57) ESR1ESR2ARMMP3
SCHEMBL14675129 0.68 ESR2 (0.38) ESR1ESR2ARUSP7ALOX5
SCHEMBL1257364 0.68 GABRA1 (0.52) ESR1ESR2ARHSD17B1MEN1
SCHEMBL13263907 0.67 AR (0.48) ESR1ESR2ARMMP3HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283326-B1 LIQUID CRYSTAL COMPOUNDS WITH 4-(OPTICALLY ACTIVE ALKYL)-3-CYANOPHENYL GROUPS Chisso Corporation (JP) 1992-06-24 EP disclosed
US-4913838-A LARGE SPONTANEOUS POLARIZATION VALUE CHISSO CORPORATION (JP) 1990-04-03 US disclosed