SCHEMBL28033424

SCHEMBL28033424

CC=CC(=O)Oc1c(CC)c(OCCC)c(-c2cccc3c2Cc2ccccc2-3)c(OCCC)c1OCCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GSTA1 P08263 2/20 0.32
GSTP1 P09211 2/20 0.32
PTPRC P08575 3/20 0.31
PTPN2 P17706 3/20 0.31
PTPN1 P18031 3/20 0.31
PTPRB P23467 3/20 0.31
PTPN11 Q06124 3/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 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
SCHEMBL28034000 0.93 PNMT (0.35) NPC1RAB9AGSTA1GSTP1
SCHEMBL28293410 0.93 NPC1 (0.30) NPC1RAB9A
SCHEMBL28033425 0.92 NPC1 (0.34) NPC1RAB9AGABRPGABRDGABRA1
SCHEMBL28033426 0.86 GSTA1 (0.34) NPC1RAB9AGSTA1GSTP1PTPRC
SCHEMBL28293411 0.85 PNMT (0.32)
SCHEMBL28033483 0.85 RAB9A (0.35) NPC1RAB9A
SCHEMBL28293481 0.85 GABRP (0.32) NPC1RAB9AGABRPGABRDGABRA1
SCHEMBL28033430 0.85 PNMT (0.36) NPC1RAB9AGABRPGABRDGABRA1
SCHEMBL28293409 0.81 NPC1 (0.31) NPC1RAB9AGSTA1GSTP1
SCHEMBL28033429 0.78 GABRP (0.34) NPC1RAB9AGABRPGABRDGABRA1

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