SCHEMBL7630183

SCHEMBL7630183

O=C(CCc1ccc(OCCSCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
TAAR1 Q96RJ0 1/20 0.38
HDAC1 Q13547 5/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL7626760 0.90 KMT2A (0.43) KMT2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL7630600 0.87 FFAR1 (0.49) KMT2AATM
SCHEMBL7635334 0.86 HDAC1 (0.38) KMT2AATMTAAR1HDAC1HDAC2
SCHEMBL3304414 0.84 KMT2A (0.42) KMT2AATMTAAR1HDAC1HDAC2
SCHEMBL7634725 0.84 KMT2A (0.48) KMT2AATMTAAR1
SCHEMBL7927139 0.84 KMT2A (0.41) KMT2AATMTAAR1HDAC1HDAC2
SCHEMBL7626953 0.80 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7543100 0.79 KMT2A (0.43) KMT2AATMTAAR1HDAC1HDAC2
SCHEMBL7635190 0.77 LMNA (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7626956 0.77 PTGIR (0.47) PPARA

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