SCHEMBL6955323

SCHEMBL6955323

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 5/20 0.58
PKM P14618 2/20 0.58
MITF O75030 1/20 0.58
KMT2A Q03164 2/20 0.49
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 2/20 0.42
POLB P06746 2/20 0.42
PPARG P37231 6/20 0.41
PPARA Q07869 4/20 0.41
PPARD Q03181 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPBWR1 P48145 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6954593 0.89 NPC1 (0.60) NPC1RAB9APKMMITFKMT2A
SCHEMBL8133266 0.88 NPC1 (0.61) NPC1RAB9APKMMITFKMT2A
SCHEMBL6950499 0.86 NPC1 (0.59) NPC1RAB9APKMMITFKMT2A
SCHEMBL8125999 0.86 NPC1 (0.59) NPC1RAB9APKMMITFKMT2A
SCHEMBL8133366 0.85 NPC1 (0.57) NPC1RAB9APKMMITFKMT2A
SCHEMBL7074163 0.83 NPC1 (0.67) NPC1RAB9APKMMITFKMT2A
SCHEMBL6955730 0.83 NPC1 (0.62) NPC1RAB9APKMMITFKMT2A
SCHEMBL6947575 0.81 PPARG (0.63) NPC1RAB9APKMMITFKMT2A
SCHEMBL6954546 0.81 NPC1 (0.59) NPC1RAB9APKMMITFKMT2A
SCHEMBL6953587 0.80 NPC1 (0.56) NPC1RAB9APKMMITFKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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