SCHEMBL11620211

SCHEMBL11620211

CCC(C)c1cc(C(C)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 3/20 0.40
TYR P14679 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HKDC1 Q2TB90 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL8777471 0.90 NPC1 (0.49) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL466590 0.88 NPC1 (0.47) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9183011 0.86 NPC1 (0.58) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL11428352 0.83 NPC1 (0.51) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL15625194 0.82 TYR (0.49) LMNATYRALDH1A1TSHRNPSR1
SCHEMBL11615531 0.82 NPC1 (0.50) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL11616092 0.82 NPC1 (0.64) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL574153 0.82 NPC1 (0.46) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9468024 0.81 NPC1 (0.41) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL3830756 0.80 NPC1 (0.45) NPC1RAB9ALMNAPOLBKDM4E

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