SCHEMBL7524136

SCHEMBL7524136

CCOC(=O)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.64
LMNA P02545 2/20 0.61
MAPT P10636 4/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PLA2G4B P0C869 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
MAOA P21397 1/20 0.52

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
SCHEMBL398701 0.89 LMNA (0.73) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL1984377 0.87 LMNA (0.71) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL9314768 0.83 LMNA (0.67) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL1203178 0.82 ALOX5 (0.67) MAOBLMNAALDH1A1
SCHEMBL4759195 0.82 MAOB (0.68) MAOBMAPTMEN1TP53ALOX15
SCHEMBL7729899 0.81 ALDH1A1 (0.58) LMNAMAPTALDH1A1
SCHEMBL28621039 0.81 CA12 (0.76) MAOBLMNAMAPTMEN1TP53
SCHEMBL10335079 0.81 GAA (0.68) MAOBLMNAMAPTALDH1A1HTT
SCHEMBL8024467 0.81 LMNA (0.64) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL11685951 0.81 MAPT (0.64) LMNAMAPTHSD17B10ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839803-B1 Substituted benzylurea derivatives and medicine containing the same SS PHARMACEUTICAL CO (JP) 2002-04-03 EP disclosed
CN-1061646-C Substituted benzylurea derivatives and medicine containing the same S S PHARMACEUTICAL CO LTD (JP) 2001-02-07 CN disclosed
US-5922767-A SELECTIVE INHIBITORS OF ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE (ACAT) IN MACROPHAGES; PROPHYLAXIS, TREATMENT OF ARTERIOSCLEROSIS SS PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
CN-1181377-A Substituted benzylurea derivatives and medicine containing the same S S PHARMACEUTICAL CO LTD (JP) 1998-05-13 CN disclosed
EP-0839803-A1 Substituted benzylurea derivatives and medicine containing the same SS PHARMACEUTICAL CO., LTD. (JP) 1998-05-06 EP disclosed