SCHEMBL7626953

SCHEMBL7626953

O=C(CCc1ccc(OCCSCCO)cc1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
FFAR1 O14842 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7635190 0.86 LMNA (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7629583 0.84 FAAH (0.55) HDAC1HDAC2LMNAL3MBTL1
SCHEMBL7626640 0.83 FFAR1 (0.61) FFAR1LMNAL3MBTL1
SCHEMBL7626760 0.80 KMT2A (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7630183 0.80 KMT2A (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7635850 0.79 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13498535 0.76 SLC5A1 (0.54) FFAR1LMNAL3MBTL1
SCHEMBL3487635 0.76 FAAH (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3488458 0.76 FAAH (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7625233 0.75 FFAR1 (0.49) HDAC1HDAC2FFAR1LMNAL3MBTL1

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-A4 SELECTIVE CPLA 2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2001-10-10 EP disclosed
EP-1140791-A2 SELECTIVE CPLA 2 INHIBITORS Bristol-Myers Squibb Company (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