SCHEMBL9712201

SCHEMBL9712201

C[CH]CCCCCCC/C=C/CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
CYP19A1 P11511 3/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
OXER1 Q8TDS5 2/20 0.47
PTGS1 P23219 2/20 0.47
PPARG P37231 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
FFAR1 O14842 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL9211712 1.00 ALDH1A1 (0.47) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL19878301 1.00 ALDH1A1 (0.47) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL9211718 1.00 ALDH1A1 (0.47) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL2118173 0.97 ALDH1A1 (0.43) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL2118172 0.97 ALDH1A1 (0.43) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL8953854 0.93 ALDH1A1 (0.57) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL2120718 0.92
SCHEMBL2120717 0.92
SCHEMBL3320012 0.88 ALDH1A1 (0.54) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL5054346 0.88 ALDH1A1 (0.54) ALDH1A1F7F3CYP19A1MAPT

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