SCHEMBL516790

SCHEMBL516790

CC1CCCC(NC(=O)c2ccc3cc(C(=O)NC4CCCC(C)C4)ccc3c2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
GRM5 P41594 10/20 0.52
SMYD3 Q9H7B4 2/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
HPGDS O60760 2/20 0.47

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
SCHEMBL517369 0.89 CA12 (0.64) CA12CA9GRM5RAB9ANPC1
SCHEMBL2452482 0.86 CA12 (0.54) CA12CA9GRM5RAB9ANPC1
SCHEMBL517027 0.85 CA12 (0.60) CA12CA9GRM5SMYD3RAB9A
SCHEMBL20206256 0.84 RAB9A (0.69) CA12CA9GRM5RAB9ANPC1
SCHEMBL518025 0.82 SMYD3 (0.63) SMYD3RAB9ANPC1CYP1A2HPGD
SCHEMBL14192868 0.82 GRM5 (0.53) CA12CA9GRM5RAB9ANPC1
SCHEMBL23839838 0.82 GRM5 (0.62) CA12CA9GRM5RAB9ANPC1
SCHEMBL9294911 0.82 GRM5 (0.62) CA12CA9GRM5RAB9ANPC1
SCHEMBL517350 0.81 RAB9A (0.65) SMYD3RAB9ANPC1SMN1; SMN2HPGDS
SCHEMBL20404239 0.81 NPC1 (0.73) SMYD3RAB9ANPC1HPGDSMN1; SMN2

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