SCHEMBL5582941

SCHEMBL5582941

O=C(O)c1ccc(O)cc1-c1ccc(-c2cc(O)ccc2C(=O)O)c(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
PTPN1 P18031 2/20 0.49
ESR2 Q92731 3/20 0.49
ALOX5 P09917 1/20 0.49
ACMSD Q8TDX5 4/20 0.47
HNF4A P41235 3/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ESR1 P03372 2/20 0.45
CA12 O43570 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MCL1 Q07820 2/20 0.44
DHFR P00374 1/20 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
SCHEMBL3040769 0.88 HSD17B10 (0.58) HSD17B10PTPN1ESR2ALOX5ACMSD
SCHEMBL2785635 0.85 HSD17B10 (0.68) HSD17B10PTPN1ESR2ALOX5ACMSD
SCHEMBL21694758 0.83 CA12 (0.53) HSD17B10PTPN1ESR2ALOX5ACMSD
SCHEMBL20695878 0.83 HSD17B10 (0.66) HSD17B10PTPN1ESR2ALOX5ACMSD
SCHEMBL900834 0.83 HSD17B10 (0.71) HSD17B10PTPN1ESR2ALOX5ACMSD
SCHEMBL11192602 0.82 CA12 (0.52) HSD17B10PTPN1ESR2ALOX5ACMSD
SCHEMBL10334618 0.81 ACMSD (0.62) HSD17B10PTPN1ACMSDHNF4AAKR1C3
SCHEMBL5583149 0.81 HSD17B10 (0.54) HSD17B10PTPN1ESR2ALOX5ESR1
SCHEMBL6937705 0.80 CA12 (0.53) HSD17B10ESR2ALOX5ESR1CA12
SCHEMBL2462821 0.79 ACMSD (0.66) PTPN1ACMSDHNF4AAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142863-B1 Polymerisable liquid crystals BASF AG (DE) 2007-08-01 EP disclosed
US-6793986-B2 Polymerizable liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20040075080-A1 Crosslinkable mesogendiols BASF AKTIENGESELLSCHAFT (DE) 2004-04-22 US disclosed
US-6699405-B2 Polymerizable liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-20020036285-A1 Having relatively high crosslinking density. BASF AKTIENGESELLSCHAFT (DE) 2002-03-28 US disclosed
EP-1142863-A2 Polymerisable liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2001-10-10 EP disclosed