SCHEMBL8116567

SCHEMBL8116567

CCOC(Cc1ccc(OCCn2ncc3cc(C)ccc3c2=O)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.53
PPARG P37231 16/20 0.53
PPARD Q03181 3/20 0.53
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
TBXA2R P21731 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL8124004 0.93 PPARA (0.47) PPARAPPARGPPARDNPC1MITF
SCHEMBL6950676 0.92 PPARA (0.46) PPARAPPARGPPARDNPC1MITF
SCHEMBL8123609 0.91 PPARA (0.53) PPARAPPARGPPARDNPC1MITF
SCHEMBL8125818 0.90 PPARA (0.63) PPARAPPARGPPARDNPC1MITF
SCHEMBL8124015 0.90 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL6947575 0.88 PPARG (0.63) PPARAPPARGPPARDNPC1MITF
SCHEMBL8127089 0.87 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL8118173 0.85 PPARA (0.54) PPARAPPARGPPARDNPC1MITF
SCHEMBL8131977 0.84 PPARA (0.46) PPARAPPARGPPARDNPC1MITF
SCHEMBL8131011 0.84 PPARA (0.53) PPARAPPARGPPARDNPC1MITF

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-1051403-A1 NOVEL ALKANOIC ACIDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-15 EP claimed
WO-1999038850-A1 NOVEL ALKANOIC ACIDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-08-05 WO claimed
EP-1051403-A1 NOVEL ALKANOIC ACIDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-15 EP disclosed
WO-1999038850-A1 NOVEL ALKANOIC ACIDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-08-05 WO disclosed