SCHEMBL7329888

SCHEMBL7329888

CC(C)C(=O)Nc1ccc(C(=O)Oc2cc(F)cc(F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.51
▸ KMT2A Q03164 9/20 0.50
▸ MEN1 O00255 7/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RAB9A P51151 6/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 6/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MTNR1B P49286 2/20 0.45
▸ ATM Q13315 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL7340407 0.92 MLYCD (0.47) MLYCDKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7334099 0.91 MEN1 (0.49) MLYCDKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7342155 0.88 MEN1 (0.52) MLYCDKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7333348 0.84 KMT2A (0.65) MLYCDKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7339865 0.83 KMT2A (0.55) MLYCDKMT2AMEN1CYP2C9CYP2C19
SCHEMBL7335748 0.81 MEN1 (0.51) MLYCDKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7330761 0.80 KMT2A (0.54) MLYCDKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7340280 0.79 KMT2A (0.50) MLYCDKMT2AMEN1CYP2C9CYP2C19
SCHEMBL7333001 0.79 KMT2A (0.57) MLYCDKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7333046 0.79 KMT2A (0.50) MLYCDKMT2AMEN1CYP2C9CYP2C19

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
EP-0475531-B1 Benzoic acid phenylester compounds and elastase inhibiting compositions containing the same ASAHI CHEMICAL IND (JP) 1995-01-18 — — EP disclosed
EP-0475531-A1 Benzoic acid phenylester compounds and elastase inhibiting compositions containing the same Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-03-18 — — EP disclosed
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