SCHEMBL6954546

SCHEMBL6954546

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
PKM P14618 2/20 0.59
MITF O75030 1/20 0.59
PPARG P37231 12/20 0.52
PPARA Q07869 12/20 0.52
PPARD Q03181 3/20 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
POLB P06746 1/20 0.42

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
SCHEMBL6956497 0.94 NPC1 (0.58) NPC1RAB9APKMMITFPPARG
SCHEMBL6947575 0.92 PPARG (0.63) NPC1RAB9APKMMITFPPARG
SCHEMBL6950499 0.91 NPC1 (0.59) NPC1RAB9APKMMITFPPARG
SCHEMBL6955885 0.91 NPC1 (0.61) NPC1RAB9APKMMITFPPARG
SCHEMBL6953984 0.89 NPC1 (0.57) NPC1RAB9APKMMITFPPARG
SCHEMBL6956051 0.89 NPC1 (0.52) NPC1RAB9APKMMITFPPARG
SCHEMBL6952445 0.89 NPC1 (0.59) NPC1RAB9APKMMITFPPARG
SCHEMBL6956847 0.89 NPC1 (0.67) NPC1RAB9APKMMITFPPARG
SCHEMBL6950676 0.88 PPARA (0.46) NPC1RAB9APKMMITFPPARG
SCHEMBL7074163 0.87 NPC1 (0.67) NPC1RAB9APKMMITFPPARG

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
JP-11158144-A None JP disclosed
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
JP-H11158144-A ALPHA-SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME SS PHARMACEUT CO LTD 1999-06-15 JP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed