SCHEMBL11657482

SCHEMBL11657482

COC(=O)Nc1ccc2c(c1)CCC2

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.66
RAB9A P51151 12/20 0.66
POLB P06746 4/20 0.66
CASP3 P42574 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 1/20 0.59
TP53 P04637 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL13783463 0.84 NPC1 (0.60) NPC1RAB9APOLBCASP3SENP7
SCHEMBL1673429 0.82 BAZ2B (0.69) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL987970 0.81 ATM (0.68) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL31169451 0.81 NPC1 (0.57) NPC1RAB9APOLBCASP3SENP7
SCHEMBL11657866 0.81 RAB9A (0.63) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL11896022 0.80 NPC1 (0.70) NPC1RAB9APOLBCASP3SENP7
SCHEMBL29791442 0.80 NPC1 (0.64) NPC1RAB9APOLBCASP3SENP7
SCHEMBL3003689 0.80 F2 (0.54) MEN1KMT2A
SCHEMBL15890231 0.80 NPC1 (0.64) NPC1RAB9APOLBCASP3SENP7
SCHEMBL4106288 0.80 NPC1 (1.00) NPC1RAB9APOLBCASP3SENP7

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-4069240-A GROUP 8 METAL CATALYST UNIROYAL, INC. (US) 1978-01-17 US disclosed