SCHEMBL9680292

SCHEMBL9680292

O=C(CCCCc1ccc(-c2ccc(Br)cc2)cc1)CCCCc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 3/20 0.54
▸ HDAC1 Q13547 3/20 0.53
▸ HDAC8 Q9BY41 2/20 0.45
▸ RARB P10826 5/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ PLAAT3 P53816 1/20 0.44
▸ PLAAT5 Q96KN8 1/20 0.44
▸ PLAAT2 Q9NWW9 1/20 0.44
▸ PLAAT4 Q9UL19 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RARA P10276 1/20 0.44

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
SCHEMBL9680228 0.94 PLAAT3 (0.49) HDAC2HDAC1HDAC8RARBHDAC3
SCHEMBL9679405 0.94 HDAC1 (0.49) HDAC2HDAC1HDAC8HDAC3HDAC4
SCHEMBL1377057 0.88 PLAAT3 (0.53) HDAC2HDAC1HDAC8HDAC3HDAC4
SCHEMBL9680739 0.86 MMP12 (0.55) HDAC2HDAC8FFAR1
SCHEMBL9680364 0.84 HDAC1 (0.45) HDAC2HDAC1HDAC8HDAC3HDAC4
SCHEMBL11756466 0.81 HDAC2 (0.60) HDAC2HDAC1HDAC8HDAC3HDAC4
SCHEMBL1114650 0.81 MAPT (0.66) HDAC2HDAC1HDAC8HDAC3HDAC4
SCHEMBL4685861 0.81 MEN1 (0.52) HDAC2HDAC1HDAC8HDAC3HDAC4
SCHEMBL4484073 0.80 FFAR1 (0.53) FFAR1
SCHEMBL25176127 0.79 MAPT (0.69) HDAC2HDAC1HDAC8HDAC3HDAC4

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
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 — — US disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 — — US disclosed
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