SCHEMBL9101731

SCHEMBL9101731

COc1cc(C=CC(=O)O)c(C(C)=O)c(OC)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HTR1A P08908 1/20 0.51
HTR2C P28335 1/20 0.51
GAA P10253 3/20 0.49
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44

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
SCHEMBL28630448 0.85 PKM (0.61) PKMPTGS1PTGS2KDM4EALDH1A1
SCHEMBL976533 0.82 PKM (0.58) PKMPTGS1PTGS2KDM4EALDH1A1
SCHEMBL7622125 0.82 ERN1 (0.54) KDM4EALDH1A1LMNACYP3A4MAPT
SCHEMBL31197713 0.82 ERN1 (0.54) KDM4EALDH1A1LMNACYP3A4MAPT
SCHEMBL2492020 0.82 PKM (0.54) PKMPTGS1PTGS2KDM4EALDH1A1
SCHEMBL2394283 0.79 PKM (0.54) PKMPTGS1PTGS2KDM4EALDH1A1
SCHEMBL3789794 0.79 KDM4E (0.65) PKMPTGS1PTGS2KDM4EALDH1A1
SCHEMBL3789790 0.79 KDM4E (0.65) PKMPTGS1PTGS2KDM4EALDH1A1
SCHEMBL10821648 0.77 PKM (0.50) PKMPTGS1PTGS2KDM4EALDH1A1
SCHEMBL30402319 0.77 KDM4E (0.47) PKMPTGS1PTGS2KDM4EALDH1A1

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
EP-1635777-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GMBH (DE) 2012-06-06 EP claimed