SCHEMBL517808

SCHEMBL517808

CC1CCC(NC(=O)c2ccc(-c3ccc(C(=O)NC4CCC(C)CC4)cc3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.72
RAB9A P51151 10/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
SMYD3 Q9H7B4 2/20 0.62
TSHR P16473 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
TAS1R2 Q8TE23 1/20 0.57
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.55
MAPK14 Q16539 1/20 0.54
MAPT P10636 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
F2 P00734 1/20 0.52

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
SCHEMBL517500 0.94 NPC1 (0.65) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8167649 0.94 RAB9A (0.84) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL28658597 0.89 NPC1 (0.70) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12093546 0.88 NPC1 (0.73) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12084650 0.88 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL25601971 0.86 NPC1 (0.71) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL14117659 0.86 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13649854 0.86 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12425958 0.86 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17470865 0.85 TRPV1 (0.60) 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