SCHEMBL28033429

SCHEMBL28033429

CC=CC(=O)Oc1c(OCC)cc(-c2cccc3c2Cc2ccccc2-3)c(OCC)c1CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32

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
SCHEMBL28033427 0.93 PNMT (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28033426 0.91 GSTA1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28033994 0.87 LMNA (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL28033425 0.85 NPC1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28293409 0.84 NPC1 (0.31) NPC1RAB9A
SCHEMBL28033991 0.83 PNMT (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27716163 0.80 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28293481 0.80 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28822441 0.79 LMNA (0.38) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL28033483 0.78 RAB9A (0.35) NPC1RAB9AMEN1KMT2AKDM4E

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
CN-105073807-A Curable resin composition, cured product, and optical article NIPPON STEEL & SUMIKIN CHEM CO 2015-11-18 CN disclosed