SCHEMBL7632805

SCHEMBL7632805

O=C(O)COc1ccc(/C=C/C(=O)C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.70
▸ HDAC2 Q92769 3/20 0.70
▸ HDAC3 O15379 2/20 0.70
▸ HDAC4 P56524 2/20 0.70
▸ HDAC7 Q8WUI4 2/20 0.70
▸ HDAC10 Q969S8 2/20 0.70
▸ HDAC11 Q96DB2 2/20 0.70
▸ HDAC8 Q9BY41 2/20 0.70
▸ HDAC6 Q9UBN7 2/20 0.70
▸ HDAC9 Q9UKV0 2/20 0.70
▸ HDAC5 Q9UQL6 2/20 0.70
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ BLM P54132 2/20 0.50
▸ GPR35 Q9HC97 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALOX15 P16050 1/20 0.49

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
SCHEMBL7632812 1.00 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL19900738 0.83 THRB (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11693509 0.83 THRB (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29052060 0.83 KMT2A (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20024689 0.83 ALOX15 (0.63) MEN1KMT2ANPC1RAB9ABLM
SCHEMBL11459734 0.79 KMT2A (0.75) MEN1KMT2ANPC1RAB9ABLM
SCHEMBL11459733 0.79 KMT2A (0.75) MEN1KMT2ANPC1RAB9ABLM
SCHEMBL25201617 0.79 CYP1A1 (0.75) MEN1KMT2ANPC1RAB9ABLM
SCHEMBL28766846 0.79 F3 (0.66) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7630846 0.78 HDAC1 (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350892-B1 ENZYME INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-02-26 — — US disclosed
EP-1140791-A2 SELECTIVE CPLA 2 INHIBITORS Bristol-Myers Squibb Company (US) 2001-10-10 — — EP disclosed
EP-1140791-A4 SELECTIVE CPLA 2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2001-10-10 — — EP disclosed
US-6255496-B1 CYTOSOLIC PHOSPHATIDE 2-ACYLHYDROLASE ENZYME INHIBITORS; CONTROLLING INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY 2001-07-03 — — US disclosed
WO-1999015129-A2 SELECTIVE cPLA2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-01 — — WO disclosed
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