SCHEMBL3751213

SCHEMBL3751213

O=C(O)/C(O)=C/c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR2B P41595 3/20 0.43
HTR7 P34969 2/20 0.43
PNMT P11086 1/20 0.41
SRD5A2 P31213 2/20 0.41
HSP90AA1 P07900 2/20 0.38
MIF P14174 3/20 0.38
GSR P00390 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2C P28335 2/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL3410927 0.85 NPC1 (0.51) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL6990051 0.85 NPC1 (0.51) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL31132409 0.78 CA1 (0.49) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL27700657 0.77 NPC1 (0.46) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL29882364 0.76 PNMT (0.49) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL68230 0.76 PNMT (0.49) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL8359461 0.76 PNMT (0.49) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL6421463 0.76 PNMT (0.52) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL3952483 0.76 PNMT (0.52) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL2497556 0.76 RAB9A (0.51) NPC1RAB9AHTR2BHTR7PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334026-B2 Tunable fluorescent UV curable gel inks containing fluorescent monomers for food packaging applications XEROX CORPORATION (US) 2012-12-18 US disclosed
US-20100304040-A1 TUNABLE FLUORESCENT UV CURABLE GEL INKS CONTAINING FLUORESCENT MONOMERS FOR FOOD PACKAGING APPLICATIONS XEROX CORPORATION (US) 2010-12-02 US disclosed