SCHEMBL9679405

SCHEMBL9679405

O=C(CCCCc1ccc(Br)cc1)CCCCc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.49
▸ HDAC2 Q92769 4/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49
▸ PLAAT3 P53816 1/20 0.47
▸ PLAAT5 Q96KN8 1/20 0.47
▸ PLAAT2 Q9NWW9 1/20 0.47
▸ PLAAT4 Q9UL19 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ HTR2A P28223 1/20 0.45

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) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1377057 0.94 PLAAT3 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9680364 0.89 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9680228 0.88 PLAAT3 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4685861 0.86 MEN1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1114650 0.86 MAPT (0.66) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4484073 0.85 FFAR1 (0.53) HTR2ATAAR1FFAR1FFAR4PDPK1
SCHEMBL25176127 0.84 MAPT (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9859814 0.84 MAPT (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16136610 0.84 MAPT (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7

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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