SCHEMBL7331546

SCHEMBL7331546

CC(C)C(=O)Nc1ccc(C(=O)Oc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MLYCD O95822 1/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MTNR1B P49286 2/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL7332045 0.83 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL7339865 0.78 KMT2A (0.55) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL13391037 0.77 MEN1 (0.62) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL7333467 0.76 POLB (0.47) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL7343143 0.76 PPARG (0.46) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL14521766 0.76 MAPT (0.54) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL7337966 0.75 ALDH1A1 (0.54) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL7336952 0.75 RAB9A (0.49) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL7330761 0.75 KMT2A (0.54) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL7342155 0.75 MEN1 (0.52) ALDH1A1RAB9ASMN1; SMN2HPGDHTT

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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