SCHEMBL7329112

SCHEMBL7329112

Cc1ccc([N+](=O)[O-])c(OC(=O)c2ccc(NC(=O)C(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
ALDH1A1 P00352 7/20 0.50
MAPK1 P28482 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
CES2 O00748 1/20 0.50
ABCB11 O95342 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
AR P10275 1/20 0.50
CHRM1 P11229 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
TBXA2R P21731 1/20 0.50
AADAC P22760 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADRA1A P35348 1/20 0.50

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
SCHEMBL7333004 0.89 LMNA (0.51) LMNAALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7332611 0.89 LMNA (0.53) LMNAALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7330798 0.89 MAPT (0.56) LMNAALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7340439 0.89 LMNA (0.53) LMNAALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7333881 0.89 LMNA (0.51) LMNAALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7332797 0.88 LMNA (0.50) LMNAALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7331427 0.88 ALDH1A1 (0.52) LMNAALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7339251 0.88 LMNA (0.50) LMNAALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7339380 0.87 ALDH1A1 (0.54) LMNAALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL7340363 0.86 LMNA (0.48) LMNAALDH1A1MAPK1SMN1; SMN2HTT

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