SCHEMBL517369

SCHEMBL517369

CC1CCCC(NC(=O)c2ccc(C(=O)NC3CCCC(C)C3)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.64
CA9 Q16790 1/20 0.64
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.53
GRM5 P41594 6/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL517027 0.95 CA12 (0.60) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL20206256 0.94 RAB9A (0.69) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL23839838 0.92 GRM5 (0.62) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL9294911 0.92 GRM5 (0.62) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL2452482 0.90 CA12 (0.54) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL516790 0.89 CA12 (0.55) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL14192868 0.83 GRM5 (0.53) CA12CA9NPC1RAB9AGRM5
SCHEMBL20404239 0.82 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL28658597 0.81 NPC1 (0.70) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL30583817 0.79 GRM5 (0.55) NPC1RAB9ASMN1; SMN2HPGDCYP1A2

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