SCHEMBL7537689

SCHEMBL7537689

CCC(C)C=NOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RET P07949 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPA1 O75762 1/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL7537685 1.00 NPC1 (0.42) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL17218342 0.84 NPC1 (0.43) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL14223240 0.81 NPC1 (0.39) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL17257538 0.80 NPC1 (0.47) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL17257539 0.80 NPC1 (0.47) NPC1RAB9AGAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8615284 0.80 CYP2D6 (0.38) NPC1RAB9AGAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8615282 0.80 CYP2D6 (0.38) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL16769087 0.77 TRPA1 (0.43) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL16769086 0.77 NPC1 (0.35) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL17216758 0.75 IDO1 (0.46) NPC1RAB9AGAASMN1; SMN2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672746-B1 Oxime ethers and perfume and flavouring compositions containing them GIVAUDAN SA (CH) 2002-05-29 EP claimed
EP-0672746-A1 Oxime ethers and perfume and flavouring compositions containing them GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1995-09-20 EP claimed
EP-0672746-A1 Oxime ethers and perfume and flavouring compositions containing them GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1995-09-20 EP disclosed