SCHEMBL7333124

SCHEMBL7333124

CC(C)C(=O)Nc1ccc(C(=O)Oc2cc(C=O)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
ALDH1A1 P00352 8/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CES2 O00748 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
AR P10275 1/20 0.47
CHRM1 P11229 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
TBXA2R P21731 1/20 0.47
AADAC P22760 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL7330798 0.86 MAPT (0.56) LMNAALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7333004 0.86 LMNA (0.51) LMNAALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7332611 0.86 LMNA (0.53) LMNAALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7333881 0.86 LMNA (0.51) LMNAALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7329112 0.86 LMNA (0.51) LMNAALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7340439 0.86 LMNA (0.53) LMNAALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7338230 0.85 KMT2A (0.47) LMNAALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7332797 0.85 LMNA (0.50) LMNAALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7339251 0.85 LMNA (0.50) LMNAALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7331427 0.85 ALDH1A1 (0.52) LMNAALDH1A1MAPK1HTTSMN1; 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