SCHEMBL4385209

SCHEMBL4385209

CC(=O)C(C)(C)Cc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
PPARG P37231 5/20 0.38
PPARA Q07869 3/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ACACB O00763 1/20 0.37
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL4378557 0.83 POLB (0.42) HRH3FFAR1ALDH1A1LMNA
SCHEMBL4385206 0.82 KDM4E (0.39) HRH3PPARGPPARAFFAR1ALDH1A1
SCHEMBL4378585 0.81 ALDH1A1 (0.53) HRH3FFAR1ALDH1A1LMNA
SCHEMBL4383472 0.81 ALDH1A1 (0.46) HRH3PPARGPPARACYP4F2CYP4A11
SCHEMBL4376187 0.80 L3MBTL1 (0.59) HRH3ALDH1A1LMNA
SCHEMBL4383862 0.80 ALDH1A1 (0.46) HRH3PPARGPPARAFFAR1ALDH1A1
Oxalic Acid SCHEMBL7990912 0.79 MEN1 (0.47) HRH3PPARAFFAR1ALDH1A1LMNA
SCHEMBL7991257 0.78 CYP3A4 (0.45) ALDH1A1LMNA
SCHEMBL4378580 0.78 KDM4E (0.43) HRH3ALDH1A1LMNA
SCHEMBL4376133 0.78 HRH3 (0.46) HRH3FFAR1

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-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed