SCHEMBL10696045

SCHEMBL10696045

CCCc1cnc(-c2ccc(OCc3ccc(C)cc3)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
MAOB P27338 2/20 0.49
PARP10 Q53GL7 1/20 0.48
MAPT P10636 5/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
FFAR1 O14842 2/20 0.43
THRB P10828 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
DHFR P00374 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RARB P10826 1/20 0.41

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
SCHEMBL10693600 0.93 RAB9A (0.49) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL10693673 0.92 RAB9A (0.50) RAB9ANPC1MAOBPARP10MAPT
SCHEMBL10692810 0.91 RAB9A (0.53) RAB9ANPC1MAOBPARP10MAPT
SCHEMBL10692751 0.90 MAPT (0.52) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL10688910 0.90 RXRA (0.50) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL10694777 0.89 RAB9A (0.56) RAB9ANPC1MAOBPARP10MAPT
SCHEMBL10691454 0.89 RAB9A (0.56) RAB9ANPC1MAOBPARP10MAPT
SCHEMBL10691733 0.89 RAB9A (0.56) RAB9ANPC1MAOBPARP10MAPT
SCHEMBL10694415 0.89 RAB9A (0.60) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL10693079 0.89 APP (0.50) RAB9ANPC1MAOBMAPTALDH1A1

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