SCHEMBL10694415

SCHEMBL10694415

CCCCOc1ccc(COc2ccc(-c3ncc(CCC)cn3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
NPC1 O15118 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
KDM4E B2RXH2 4/20 0.60
HSD17B10 Q99714 3/20 0.60
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
RARB P10826 1/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP19A1 P11511 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 6/20 0.46
CYP3A4 P08684 5/20 0.46
CASP3 P42574 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
SCHEMBL10695531 0.96 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10690063 0.96 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10694115 0.94 RAB9A (0.60) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10694543 0.93 RAB9A (0.52) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10694475 0.93 RAB9A (0.52) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10694826 0.93 RAB9A (0.58) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10693600 0.93 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10691455 0.92 RAB9A (0.58) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10693844 0.92 RAB9A (0.58) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10691158 0.92 RAB9A (0.58) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10

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