SCHEMBL19133752

SCHEMBL19133752

O=C(O)c1ccc(-c2ccc(O)c(O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
LMNA P02545 1/20 0.69
HSD17B10 Q99714 1/20 0.69
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA9 Q16790 2/20 0.68
CA14 Q9ULX7 2/20 0.68
POLB P06746 1/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 1/20 0.68
CA4 P22748 1/20 0.68
CA6 P23280 1/20 0.68
PTGS2 P35354 1/20 0.68
CA7 P43166 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ERN1 O75460 2/20 0.65
ALOX5 P09917 3/20 0.61
APP P05067 2/20 0.61
PPM1B O75688 1/20 0.59

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
Terephthalic Acid SCHEMBL27943509 0.84 CA12 (0.95) KDM4ELMNAHSD17B10CA12CA1
SCHEMBL27245957 0.83 ACMSD (0.75) KDM4ELMNAHSD17B10CA12CA1
SCHEMBL31070130 0.83 ACMSD (0.75) KDM4ELMNAHSD17B10CA12CA1
SCHEMBL28364476 0.83 ACMSD (0.75) KDM4ELMNAHSD17B10CA12CA1
SCHEMBL4336129 0.82 KDM4E (0.66) KDM4ELMNAHSD17B10CA12CA1
SCHEMBL28668020 0.82 KDM4E (0.62) KDM4ELMNAHSD17B10CA12CA1
SCHEMBL5847624 0.82 KDM4E (0.58) KDM4ELMNAHSD17B10CA12CA1
SCHEMBL3688519 0.82 KDM4E (0.62) KDM4ELMNAHSD17B10CA12CA1
SCHEMBL9437164 0.82 KDM4E (1.00) KDM4ELMNAHSD17B10CA12CA1
SCHEMBL2404415 0.82 HSD17B10 (0.65) KDM4ELMNAHSD17B10CA12CA1

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-2818531-B1 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed