SCHEMBL7338363

SCHEMBL7338363

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
STAT3 P40763 1/20 0.41
MLYCD O95822 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PGR P06401 1/20 0.40
HSP90AA1 P07900 1/20 0.39
F11 P03951 5/20 0.39
KLKB1 P03952 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL7331572 0.88 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL7343524 0.88 F11 (0.45) ALDH1A1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL7339841 0.88 ALDH1A1 (0.44) ALDH1A1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL7341144 0.88 IMPDH2 (0.44) ALDH1A1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL7333593 0.87 F11 (0.49) F11KLKB1POLBCYP2C9
SCHEMBL7342249 0.87 ADRB1 (0.47) ALDH1A1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL7336287 0.86 SMN1; SMN2 (0.43) ALDH1A1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL7332390 0.85 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL7332346 0.85 LMNA (0.40) ALDH1A1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL7334092 0.84 MLYCD (0.46) ALDH1A1RAB9AHPGDHTTSMN1; SMN2

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