SCHEMBL17748552

SCHEMBL17748552

COc1cc(CC(C)C)ccc1/C=C/C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
APP P05067 1/20 0.49
LDHA P00338 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGER4 P35408 1/20 0.47
PTGER2 P43116 1/20 0.47
AKR1B10 O60218 3/20 0.46

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
SCHEMBL17748553 1.00 KDM4E (0.50) KDM4ECA12CA1CA2CA4
SCHEMBL17761400 0.84 AKR1B10 (0.54) KDM4EAPPALDH1A1MAPTMEN1
SCHEMBL454314 0.79 ALDH1A1 (0.54) KDM4ELDHAALDH1A1MAPTALOX15
SCHEMBL12870076 0.78 KDM4E (0.57) KDM4ECA12CA1CA2CA4
SCHEMBL2829436 0.78 EGFR (0.59) KDM4ECA12CA1CA2CA4
SCHEMBL20607663 0.77 AKR1B10 (0.47) KDM4EAPPALDH1A1MAPTMEN1
SCHEMBL8573282 0.76 ALDH1A1 (0.63) KDM4ECA12CA1CA2CA4
SCHEMBL29449851 0.76 MAPT (0.79) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1171573 0.76 APP (0.74) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL9222741 0.76 ALDH1A1 (0.63) KDM4ECA12CA1CA2CA4

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-2016074696-A1 PERFUME INGREDIENTS AND PERFUME PREPARATIONS CONTAINING SAME GIVAUDAN AG (CH) 2016-05-19 WO disclosed