SCHEMBL17666372

SCHEMBL17666372

Cc1cccc(Cc2cccc(Cc3ccccc3O)c2O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.61
TRPA1 O75762 2/20 0.54
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ATM Q13315 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GPR55 Q9Y2T6 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL9751980 0.98 HSPA5 (0.64) HSPA5TRPA1KEAP1ALDH1A1MAPT
SCHEMBL17666370 0.90 ALDH1A1 (0.59) HSPA5TRPA1ALDH1A1HSD17B10GABRA1
SCHEMBL68936 0.88 ALDH1A1 (0.62) HSPA5TRPA1ALDH1A1HSD17B10GABRA1
SCHEMBL54577 0.88 HSPA5 (0.80) HSPA5KEAP1ALDH1A1HSD17B10GABRA1
SCHEMBL30874252 0.88 HSPA5 (0.80) HSPA5KEAP1ALDH1A1HSD17B10GABRA1
SCHEMBL5852506 0.88 HSPA5 (0.80) HSPA5KEAP1ALDH1A1HSD17B10GABRA1
SCHEMBL11126429 0.86 ALDH1A1 (0.54) HSPA5TRPA1ALDH1A1MAPTHSD17B10
SCHEMBL25518107 0.84 KEAP1 (0.59) HSPA5TRPA1KEAP1MAPTTP53
SCHEMBL1841639 0.84 HSPA5 (0.73) HSPA5TRPA1KEAP1ALDH1A1MAPT
SCHEMBL12856364 0.82 GABRA1 (0.68) TRPA1ALDH1A1HSD17B10HTTGABRA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3201619-B1 P-NITROPHENYL/FORMALDEHYDE CONDENSED POLYMER FOR PH MEASUREMENT, METHOD OF PRODUCTION AND USE PECSI TUDOMANYEGYETEM (HU) 2021-02-17 EP disclosed
US-20170307572-A1 P-NITROPHENOLE-FORMALDEHYDE POLYCONDENSATE FOR MEASUREMENT, METHOD OF PRODUCTION AND USE PÉCSI TUDOMÁNYEGYETEM (HU) 2017-10-26 US disclosed
US-20170307572-A1 P-NITROPHENOLE-FORMALDEHYDE POLYCONDENSATE FOR MEASUREMENT, METHOD OF PRODUCTION AND USE PÉCSI TUDOMÁNYEGYETEM (HU) 2017-10-26 US disclosed
WO-2016051217-A1 P-NITROPHENOLE-FORMALDEHYDE POLYCONDENSATE FOR MEASUREMENT, METHOD OF PRODUCTION AND USE PÉCSI TUDOMÁNYEGYETEM (HU) 2016-04-07 WO disclosed