SCHEMBL7334286

SCHEMBL7334286

CC(C)C(=O)Nc1ccc(C(=O)Oc2cc(OC(=O)N(C)C)ccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
MTNR1B P49286 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 1/20 0.38
F11 P03951 3/20 0.37
MEN1 O00255 2/20 0.37
MLYCD O95822 1/20 0.37
KLKB1 P03952 2/20 0.37
PGR P06401 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
MCL1 Q07820 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
SCHEMBL7336287 0.89 SMN1; SMN2 (0.43) NPSR1ALDH1A1KMT2APKMMTNR1B
SCHEMBL7332346 0.89 LMNA (0.40) NPSR1ALDH1A1KMT2AMTNR1BRAB9A
SCHEMBL7333518 0.84 MLYCD (0.45) ALDH1A1KMT2AMTNR1BHPGDHTT
SCHEMBL7338363 0.83 ALDH1A1 (0.42) NPSR1ALDH1A1KMT2ARAB9AHPGD
SCHEMBL7339841 0.83 ALDH1A1 (0.44) NPSR1ALDH1A1KMT2ARAB9AHPGD
SCHEMBL7331572 0.83 ALDH1A1 (0.47) NPSR1ALDH1A1KMT2APKMRAB9A
SCHEMBL7343524 0.83 F11 (0.45) NPSR1ALDH1A1RAB9AHPGDHTT
SCHEMBL7341144 0.83 IMPDH2 (0.44) NPSR1ALDH1A1KMT2ARAB9AHPGD
SCHEMBL7342249 0.82 ADRB1 (0.47) NPSR1ALDH1A1KMT2ARAB9AHPGD
SCHEMBL7333593 0.82 F11 (0.49) F11KLKB1

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