SCHEMBL6947575

SCHEMBL6947575

CCOC(Cc1ccc(OCCn2ncc3ccccc3c2=O)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.63
PPARA Q07869 16/20 0.63
PPARD Q03181 4/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
MITF O75030 1/20 0.63
PKM P14618 1/20 0.63
KMT2A Q03164 1/20 0.51

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
SCHEMBL8123923 0.94 NPC1 (0.62) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL8126657 0.93 NPC1 (0.61) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL6954546 0.92 NPC1 (0.59) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL6950499 0.92 NPC1 (0.59) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL8126626 0.91 NPC1 (0.63) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL8127396 0.90 NPC1 (0.65) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL6953984 0.90 NPC1 (0.57) PPARGPPARAPPARDNPC1RAB9A
Lysine SCHEMBL8127421 0.90 PPARG (0.52) PPARGPPARAPPARDNPC1RAB9A
Lysine SCHEMBL8127422 0.90 PPARG (0.52) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL7074163 0.88 NPC1 (0.67) PPARGPPARAPPARDNPC1RAB9A

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 6 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-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
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
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed