SCHEMBL19017367

SCHEMBL19017367

CCOC(=O)[C@H](C)NC(=O)CC(C)c1ccc(O)cc1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MIF P14174 1/20 0.36
TYR P14679 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL19017365 1.00 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL18986198 1.00 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL18986389 0.90 RECQL (0.42) CA12CA1CA2CA7CA9
SCHEMBL20576994 0.88 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL20577151 0.88 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL29712423 0.88 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL20576992 0.88 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL29712414 0.88 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL18986213 0.84 MEN1 (0.42) TYRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18986212 0.84 MEN1 (0.42) TYRKDM4EALDH1A1HPGDSMN1; 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
WO-2017102802-A1 RESORCINOL DERIVATIVES FOR THEIR COSMETIC USE L'OREAL (FR) 2017-06-22 WO disclosed