SCHEMBL7330280

SCHEMBL7330280

CC(C)C(=O)Nc1ccc(C(=O)Oc2cc(Cl)cc(OC(=O)C3CC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 2/20 0.40
MTNR1B P49286 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
MLYCD O95822 1/20 0.40
DRD2 P14416 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7336430 0.96 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2MEN1NPSR1HSD17B10
SCHEMBL7336185 0.96 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2MEN1NPSR1HSD17B10
SCHEMBL7336821 0.95 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2MEN1NPSR1HSD17B10
SCHEMBL7339865 0.87 KMT2A (0.55) KMT2ASMN1; SMN2MEN1NPSR1RAB9A
SCHEMBL7330761 0.86 KMT2A (0.54) KMT2ASMN1; SMN2MEN1NPSR1RAB9A
SCHEMBL7333001 0.85 KMT2A (0.57) KMT2ASMN1; SMN2MEN1NPSR1RAB9A
SCHEMBL7333046 0.85 KMT2A (0.50) KMT2ASMN1; SMN2MEN1NPSR1RAB9A
SCHEMBL7338242 0.84 RAB9A (0.54) KMT2ASMN1; SMN2MEN1NPSR1RAB9A
SCHEMBL7341414 0.84 KMT2A (0.47) KMT2ASMN1; SMN2MEN1NPSR1RAB9A
SCHEMBL9689332 0.83 MEN1 (0.43) KMT2ASMN1; SMN2MEN1RAB9AHPGD

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