SCHEMBL517027

SCHEMBL517027

CC1CCCC(NC(=O)c2ccc(-c3ccc(C(=O)NC4CCCC(C)C4)cc3)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.51
SMYD3 Q9H7B4 1/20 0.49
GRM5 P41594 6/20 0.48
PTPN1 P18031 1/20 0.48
PTPN11 Q06124 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MAPK14 Q16539 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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 0.95 CA12 (0.64) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL20206256 0.89 RAB9A (0.69) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL23839838 0.88 GRM5 (0.62) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL9294911 0.88 GRM5 (0.62) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL2452482 0.85 CA12 (0.54) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL516790 0.85 CA12 (0.55) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL517452 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL517808 0.80 NPC1 (0.72) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL518043 0.80 NPC1 (0.74) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL517178 0.80 NPC1 (0.74) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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