SCHEMBL7336971

SCHEMBL7336971

CCCCCNC(=O)Nc1ccc(C(=O)Oc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.56
EPHX2 P34913 6/20 0.54
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 2/20 0.50
LMNA P02545 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
SCHEMBL7333599 0.96 HDAC1 (0.53) EPHX1EPHX2HDAC1HDAC2ALDH1A1
SCHEMBL7331245 0.92 KMT2A (0.54) EPHX1MAPT
SCHEMBL7331228 0.87 KMT2A (0.52) HTTMAPT
SCHEMBL7337841 0.83 THRA (0.54) EPHX2ALDH1A1HTTLMNA
SCHEMBL7335188 0.82 THRA (0.53) EPHX2ALDH1A1HTTLMNA
SCHEMBL7340472 0.82 THRA (0.53) EPHX2ALDH1A1HTTLMNA
SCHEMBL7337979 0.82 ALDH1A1 (0.54) ALDH1A1HTTMAPTLMNA
SCHEMBL7333819 0.80 RAB9A (0.67) ALDH1A1HTTMAPTLMNA
SCHEMBL7157554 0.80 EPHX1 (0.67) EPHX1EPHX2HDAC1HDAC2ALDH1A1
SCHEMBL7331661 0.80 ALDH1A1 (0.57) ALDH1A1HTTMAPT

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