SCHEMBL18951663

SCHEMBL18951663

CC(C)Cc1cc(CC(C)C)c(O)c(-n2nc3ccc(S)cc3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30

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
SCHEMBL18951616 0.88 NPC1 (0.44) GABRA1GABRB2NPC1RAB9AKDM4E
SCHEMBL9468018 0.86 NPC1 (0.46) GABRA1GABRB2NPC1RAB9AKDM4E
SCHEMBL19200635 0.85 HMGCR (0.34) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL27929913 0.78 NPC1 (0.36) GABRA1GABRB2NPC1RAB9AKDM4E
SCHEMBL195720 0.77 NPC1 (0.36) GABRA1GABRB2NPC1RAB9AKDM4E
SCHEMBL29400095 0.77 NPC1 (0.36) GABRA1GABRB2NPC1RAB9AKDM4E
SCHEMBL7564694 0.75 NPC1 (0.35) NPC1RAB9APOLB
SCHEMBL196019 0.73 NPC1 (0.50) GABRA1GABRB2NPC1RAB9AKDM4E
SCHEMBL29401488 0.73 NPC1 (0.50) GABRA1GABRB2NPC1RAB9AKDM4E
SCHEMBL12387038 0.73 NPC1 (0.59) GABRA1GABRB2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178898-A1 ADDITIVE FOR IMPARTING ULTRAVIOLET ABSORPTIVITY AND/OR HIGH REFRACTIVE INDEX TO MATRIX, AND RESIN MEMBER USING SAME Miyoshi Oil & Fat Co., Ltd. (JP) 2017-06-14 EP disclosed