SCHEMBL11615344

SCHEMBL11615344

CCC(C)c1cc(-n2nc3ccc(OC)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
ALDH1A1 P00352 6/20 0.33
GAA P10253 4/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
HPGD P15428 5/20 0.33
KDM4E B2RXH2 4/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HSD17B10 Q99714 3/20 0.31

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
SCHEMBL29706591 0.87 NPC1 (0.36) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL708779 0.87 NPC1 (0.36) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL11614327 0.86 NPC1 (0.41) CA2NPC1RAB9AALDH1A1GAA
SCHEMBL3830756 0.85 NPC1 (0.45) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL11416629 0.85 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL13021503 0.82 CA1 (0.43) CA1CA2NPC1RAB9AALDH1A1
SCHEMBL11416372 0.81 RORC (0.37) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL24205703 0.81 CA1 (0.42) CA1CA2NPC1RAB9AALDH1A1
SCHEMBL8922405 0.80 CA1 (0.40) CA1CA2NPC1RAB9AALDH1A1
SCHEMBL712970 0.79 CYP3A4 (0.43) NPC1RAB9AALDH1A1GAAMAPT

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-4127586-A HYDROXYPHENYL BENZOTRIAZOLES CIBA-GEIGY CORPORATION (US) 1978-11-28 US disclosed