SCHEMBL11078619

SCHEMBL11078619

COc1ccc2cc(CC=O)ccc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ALDH1A1 P00352 3/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 2/20 0.41
PTGS1 P23219 2/20 0.38
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
LDHA P00338 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL11742127 0.79 GAA (0.61) NCEH1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL28061486 0.79 NCEH1 (0.50) NCEH1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11743240 0.78 NCEH1 (0.52) NCEH1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11740249 0.78 ALDH1A1 (0.45) ALDH1A1PPARGPPARDPPARAPTGS1
SCHEMBL5752433 0.78 ALDH1A1 (0.56) CYP19A1CYP11B1CYP11B2ALDH1A1MEN1
SCHEMBL1574663 0.77 NCEH1 (0.48) NCEH1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL13781590 0.77 NCEH1 (0.54) NCEH1CYP19A1PPARASLC6A2SLC6A3
SCHEMBL1556875 0.77 ALDH1A1 (0.53) ALDH1A1PPARGPPARDPPARAPTGS1
SCHEMBL3719886 0.75 TTR (0.42) ALDH1A1PPARGPPARDPPARASLC6A4
SCHEMBL13781586 0.75 LDHA (0.52) NCEH1CYP19A1CYP11B1CYP11B2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435417-A ANTIINFLAMMATORY AGENTS GRUPPO LEPETIT S.P.A. (IT) 1984-03-06 US disclosed
EP-0012866-B1 NEW 3H-NAPHTHO(1,2-D)IMIDAZOLES, PROCESSES FOR PREPARING THEM, COMPOUNDS FOR USE AS ANTIINFLAMMATORY AND ANTIMICROBIAL AGENTS AND COMPOSITIONS FOR THAT USE CONTAINING THEM GRUPPO LEPETIT S.P.A. (IT) 1983-01-19 EP disclosed
EP-0012866-A1 New 3H-naphtho(1,2-d)imidazoles, processes for preparing them, compounds for use as antiinflammatory and antimicrobial agents and compositions for that use containing them GRUPPO LEPETIT S.P.A. (IT) 1980-07-09 EP disclosed
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 US disclosed
US-3960936-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS SYNTEX CORPORATION (PM) 1976-06-01 US disclosed
US-3947472-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-03-30 US disclosed
US-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1976-01-27 US disclosed