SCHEMBL9137888

SCHEMBL9137888

COCCC[C@H]1CC[C@H](C2CCC(CCc3ccc(-c4ccc(F)c(F)c4)nc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRM2 Q14416 2/20 0.42
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM1A O60341 1/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL9135310 0.89 CASP3 (0.40) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL9136119 0.86 CASP3 (0.40) RAB9ANPC1SMN1; SMN2TP53GRM2
SCHEMBL9135363 0.86 CYP17A1 (0.35) RAB9ACYP11B1CYP11B2
SCHEMBL9138846 0.82 NPC1 (0.42) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL9135501 0.81 NPC1 (0.41) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL9135175 0.81 NPC1 (0.41) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL8767203 0.78 RAB9A (0.46) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL8517924 0.78 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL8517439 0.78 NPC1 (0.45) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL9313079 0.78 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2TP53PKM

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-5478497-A For electro-optical purposes HOFFMANN-LA ROCHE INC. (US) 1995-12-26 US disclosed