SCHEMBL9680228

SCHEMBL9680228

O=C(CCCc1ccc(-c2ccc(Br)cc2)cc1)CCCc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAAT3 P53816 1/20 0.49
▸ PLAAT5 Q96KN8 1/20 0.49
▸ PLAAT2 Q9NWW9 1/20 0.49
▸ PLAAT4 Q9UL19 1/20 0.49
▸ HDAC2 Q92769 4/20 0.47
▸ HDAC1 Q13547 4/20 0.46
▸ FFAR1 O14842 3/20 0.44
▸ HDAC8 Q9BY41 3/20 0.43
▸ RARB P10826 2/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 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
SCHEMBL9680292 0.94 HDAC2 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4HDAC2
SCHEMBL1377057 0.94 PLAAT3 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4HDAC2
SCHEMBL9680739 0.88 MMP12 (0.55) HDAC2FFAR1HDAC8MMP12FFAR4
SCHEMBL9679405 0.88 HDAC1 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4HDAC2
SCHEMBL11756466 0.87 HDAC2 (0.60) PLAAT3PLAAT5PLAAT2PLAAT4HDAC2
SCHEMBL9678839 0.84 HDAC1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4HDAC2
SCHEMBL28142573 0.81 PLAAT3 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4HDAC2
SCHEMBL4484073 0.81 FFAR1 (0.53) FFAR1MMP12FFAR4
SCHEMBL1857558 0.80 HDAC1 (0.67) PLAAT3PLAAT5PLAAT2PLAAT4HDAC2
SCHEMBL7845059 0.80 MEN1 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4HDAC2

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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