SCHEMBL9712203

SCHEMBL9712203

C#CCCCCCCCC(C)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.53
CYP3A4 P08684 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL7754521 0.98
SCHEMBL8377109 0.90
SCHEMBL9403893 0.90
SCHEMBL15027439 0.80 USP2 (0.69) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL16288516 0.80 USP2 (0.47) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL9205300 0.80 USP2 (0.47) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL712276 0.79
SCHEMBL6285447 0.79 TRPV1 (0.50) MAPTALDH1A1TRPV1TRPA1
SCHEMBL7757768 0.79 TRPV1 (0.50) MAPTALDH1A1TRPV1TRPA1
SCHEMBL5136479 0.79 TRPV1 (0.50) MAPTALDH1A1TRPV1TRPA1

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
WO-1992009199-A1 METHOD OF ATTRACTING MALE HESSIAN FLIES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 1992-06-11 WO disclosed