SCHEMBL7336287

SCHEMBL7336287

CC(=O)Oc1ccc(C#N)c(OC(=O)c2ccc(NC(=O)C(C)C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1B P49286 2/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
MLYCD O95822 1/20 0.40
F11 P03951 2/20 0.39
PKM P14618 1/20 0.39
PGR P06401 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KLKB1 P03952 1/20 0.39

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
SCHEMBL7332346 0.92 LMNA (0.40) SMN1; SMN2ALDH1A1RAB9AHPGDHTT
SCHEMBL7334286 0.89 NPSR1 (0.43) SMN1; SMN2ALDH1A1RAB9AHPGDHTT
SCHEMBL7339841 0.89 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1RAB9AHPGDHTT
SCHEMBL7333518 0.88 MLYCD (0.45) SMN1; SMN2ALDH1A1HPGDHTTMTNR1B
SCHEMBL7338363 0.86 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1RAB9AHPGDHTT
SCHEMBL7341144 0.86 IMPDH2 (0.44) SMN1; SMN2ALDH1A1RAB9AHPGDHTT
SCHEMBL7343524 0.86 F11 (0.45) SMN1; SMN2ALDH1A1RAB9AHPGDHTT
SCHEMBL7331572 0.86 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1RAB9AHPGDHTT
SCHEMBL7342249 0.85 ADRB1 (0.47) SMN1; SMN2ALDH1A1RAB9AHPGDHTT
SCHEMBL7333593 0.85 F11 (0.49) POLBF11KLKB1

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