SCHEMBL7070372

SCHEMBL7070372

NCC=Cc1ccc(C(O)Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
HTR2A P28223 3/20 0.38
EPHX1 P07099 2/20 0.37
IDO1 P14902 1/20 0.36
PAM P19021 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
AOC3 Q16853 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
SCHEMBL7070367 1.00 SRR (0.40) SRRPPARGPPARAHTR2AEPHX1
Hydrochloric Acid SCHEMBL7070234 0.79 PPARG (0.45) PPARGPPARAAOC3
Hydrochloric Acid SCHEMBL7070231 0.79 PPARG (0.45) PPARGPPARAAOC3
SCHEMBL6201202 0.76 ALDH1A1 (0.46) SRRPPARGPPARAEPHX1ALPI
SCHEMBL7070679 0.76 MTNR1A (0.48) PPARGPPARAPKM
SCHEMBL7070676 0.76 MTNR1A (0.48) PPARGPPARAPKM
SCHEMBL125923 0.74 LMNA (0.58) EPHX1AOC3
SCHEMBL460826 0.74 IDO1 (0.58) HTR2AIDO1PAMAOC3
SCHEMBL10422962 0.74 IDO1 (0.58) HTR2AIDO1PAMAOC3
SCHEMBL4355212 0.74 LMNA (0.58) EPHX1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142865-B1 NOVEL 1,2-DIPHENYL-2-PROPEN-1-ONE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2003-06-18 EP disclosed
US-6395932-B1 AMINOALKYL-1,2-DIPHENYL-2-PROPEN-1-ONE WHICH LOWER INTRAOCULAR PRESSURE BY CAUSING MORPHOLOGICAL CHANGE IN TRABECULAR MESHWORK CELLS. SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-05-28 US disclosed
EP-1142865-A1 NOVEL 1,2-DIPHENYL-2-PROPEN-1-ONE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed