SCHEMBL6950499

SCHEMBL6950499

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
PKM P14618 2/20 0.59
MITF O75030 1/20 0.59
PPARA Q07869 14/20 0.52
PPARG P37231 14/20 0.52
PPARD Q03181 2/20 0.52
KMT2A Q03164 1/20 0.50
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8133366 0.95 NPC1 (0.57) NPC1RAB9APKMMITFPPARA
SCHEMBL8125999 0.93 NPC1 (0.59) NPC1RAB9APKMMITFPPARA
SCHEMBL6947575 0.92 PPARG (0.63) NPC1RAB9APKMMITFPPARA
SCHEMBL6954546 0.91 NPC1 (0.59) NPC1RAB9APKMMITFPPARA
SCHEMBL6953984 0.89 NPC1 (0.57) NPC1RAB9APKMMITFPPARA
SCHEMBL8131914 0.89 NPC1 (0.57) NPC1RAB9APKMMITFPPARA
SCHEMBL8124004 0.89 PPARA (0.47) NPC1RAB9APKMMITFPPARA
SCHEMBL8133266 0.89 NPC1 (0.61) NPC1RAB9APKMMITFPPARA
SCHEMBL8118173 0.88 PPARA (0.54) NPC1RAB9APKMMITFPPARA
SCHEMBL8131977 0.88 PPARA (0.46) NPC1RAB9APKMMITFPPARA

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