SCHEMBL9226866

SCHEMBL9226866

COc1ccc(C=CC=Cc2sc(C)c(C3=C(c4c(C)sc5cc(-c6ccc(OC)cc6)ccc45)C(F)(F)C(F)(F)C3(F)F)c2C)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ LIMK1 P53667 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TUBB1 Q9H4B7 1/20 0.32
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL3853705 0.93 TUBB1 (0.33) ESR1TUBB1ALOX5
SCHEMBL9226869 0.93 HDAC8 (0.36) HDAC8HDAC6MEN1KMT2ATUBB1
SCHEMBL3853940 0.91 TUBB1 (0.35) ESR1TUBB1ALOX5
SCHEMBL3853710 0.88 TUBB1 (0.33) HDAC8HDAC6ESR1TUBB1ALOX5
SCHEMBL3849458 0.88 INSR (0.39) TUBB1
SCHEMBL3871299 0.88 TUBB1 (0.37) ESR1TUBB1ALOX5
SCHEMBL3855182 0.86 RELA (0.36) ESR1TUBB1ALOX5
SCHEMBL3853935 0.85 TUBB1 (0.35) ESR1MEN1KMT2ATUBB1ALOX5
SCHEMBL3849455 0.82 INSR (0.39) TUBB1
SCHEMBL3855911 0.82 RELA (0.41) ESR1TUBB1ALOX5

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
JP-7242659-A — — None — — JP disclosed
JP-H07242659-A DIARYLETHENE COMPOUND HAVING CONJUGATED DOUBLE BOND CHAIN KANEBO LTD 1995-09-19 — — JP disclosed
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