SCHEMBL517271

SCHEMBL517271

CC1CCCC(NC(=O)c2ccc(-c3ccc(C(=O)NC4CCCC(C)C4C)cc3)cc2)C1C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
TAS1R3 Q7RTX0 8/20 0.60
TAS1R1 Q7RTX1 8/20 0.60
TAS1R2 Q8TE23 7/20 0.60
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MLYCD O95822 1/20 0.56
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL517182 0.95 NPC1 (0.68) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL14252951 0.94 NPC1 (0.58) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL14396737 0.88 RAB9A (0.61) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL12858459 0.88 TAS1R3 (0.63) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL14252938 0.87 TAS1R3 (0.55) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL517895 0.87 MLYCD (0.71) TAS1R3TAS1R1TAS1R2MLYCDALDH1A1
SCHEMBL14082494 0.86 MKNK1 (0.55) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL12858441 0.85 NPC1 (0.58) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL2915377 0.85 TAS1R3 (0.66) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL518128 0.85 RAB9A (0.68) NPC1RAB9ATAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392458-B1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEM CO LTD (JP) 2018-03-14 EP disclosed
US-20120028006-A1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
EP-2392458-A2 POLYPROPYLENE RESIN MOLDED ARTICLE New Japan Chemical Co., Ltd. (JP) 2011-12-07 EP disclosed