SCHEMBL11075971

SCHEMBL11075971

Cc1cc(OC/C=C/C(=O)Nc2ccccc2)c(C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
MAOB P27338 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
KDM1A O60341 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
GBA1 P04062 1/20 0.43
CTSD P07339 2/20 0.42
STAT1 P42224 1/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
POLB P06746 2/20 0.41
NOTUM Q6P988 1/20 0.40

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
SCHEMBL11075978 1.00 NPC1 (0.44) NPC1MAPTRAB9AMAOBSMN1; SMN2
SCHEMBL11072099 0.93 NPC1 (0.44) NPC1MAPTRAB9AMAOBSMN1; SMN2
SCHEMBL11072093 0.93 NPC1 (0.44) NPC1MAPTRAB9AMAOBSMN1; SMN2
SCHEMBL11076016 0.86 CTSD (0.43) NPC1MAPTRAB9AMAOBSMN1; SMN2
SCHEMBL11076010 0.86 CTSD (0.43) NPC1MAPTRAB9AMAOBSMN1; SMN2
SCHEMBL11084985 0.85 KDM1A (0.42) NPC1MAPTRAB9AMAOBSMN1; SMN2
SCHEMBL11084987 0.85 KDM1A (0.42) NPC1MAPTRAB9AMAOBSMN1; SMN2
SCHEMBL11087465 0.82 CTSD (0.45) NPC1MAPTRAB9AMAOBSMN1; SMN2
SCHEMBL11087457 0.82 CTSD (0.45) NPC1MAPTRAB9AMAOBSMN1; SMN2
SCHEMBL11080752 0.81 NPC1 (0.44) NPC1MAPTRAB9AMAOBSMN1; SMN2

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-4465507-A Herbicidal acetanilides MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1984-08-14 US disclosed