SCHEMBL9030352

SCHEMBL9030352

COc1ccc2c(c1)C=C(c1nccn1C)C(c1ccccc1)O2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NR3C1 P04150 3/20 0.36
PGR P06401 1/20 0.36
ABCB1 P08183 1/20 0.36
AR P10275 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ALOX5 P09917 1/20 0.36
HDAC4 P56524 1/20 0.35
ESR1 P03372 1/20 0.35
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL9030937 0.81 POLB (0.37) PTGS1PTGS2ALOX5POLB
SCHEMBL7201845 0.70 ALOX5 (0.53) CYP19A1PTGS1PTGS2NR3C1PGR
SCHEMBL7199665 0.70 ALOX5 (0.53) CYP19A1PTGS1PTGS2NR3C1PGR
SCHEMBL7199661 0.70 ALOX5 (0.50) CYP19A1PTGS1PTGS2NR3C1PGR
SCHEMBL31561627 0.68 NPSR1 (0.60) CYP19A1PTGS1PTGS2ABCB1AR
SCHEMBL31561660 0.68 NPSR1 (0.60) CYP19A1PTGS1PTGS2ABCB1AR
SCHEMBL9030263 0.67 PPARA (0.41) ALOX5
SCHEMBL9769521 0.67 CYP4F2 (0.42) ALOX5
SCHEMBL4286687 0.66 MAPT (0.54) CYP19A1NR3C1PGRARPOLB
SCHEMBL10897027 0.65 CYP19A1 (0.44) CYP19A1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP disclosed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US disclosed
EP-0513285-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-11-19 EP disclosed
WO-1992009582-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1992-06-11 WO disclosed