SCHEMBL10695531

SCHEMBL10695531

CCCCCCOc1ccc(COc2ccc(-c3ncc(CCC)cn3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
KDM4E B2RXH2 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 4/20 0.50
RARB P10826 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
NR5A1 Q13285 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL10690063 1.00 RAB9A (0.56) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10694415 0.96 RAB9A (0.60) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10691265 0.95 RAB9A (0.57) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10693526 0.95 RAB9A (0.57) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10688052 0.95 RAB9A (0.56) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10693947 0.95 RAB9A (0.57) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10689030 0.95 RAB9A (0.57) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10695948 0.95 RAB9A (0.57) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10695999 0.95 RAB9A (0.56) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10694257 0.95 RAB9A (0.57) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10

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
US-4776973-A LIQUID CRYSTAL ELECTROOPTICS DISPLAY DEVICE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-10-11 US disclosed