SCHEMBL5583149

SCHEMBL5583149

Cc1cc(-c2cc(O)ccc2C(=O)O)ccc1-c1cc(O)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
HSD17B1 P14061 1/20 0.49
ESR2 Q92731 7/20 0.49
ESR1 P03372 6/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
MCL1 Q07820 4/20 0.46
HCAR2 Q8TDS4 1/20 0.44
RXRB P28702 2/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
RXRA P19793 1/20 0.42
MYC P01106 1/20 0.41
PTPN1 P18031 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
SCHEMBL2785635 0.84 HSD17B10 (0.68) HSD17B10HSD17B1ESR2ESR1CA12
SCHEMBL31544755 0.83 CA12 (0.47) HSD17B10HSD17B1ESR2ESR1CA12
SCHEMBL9683494 0.83 HSD17B10 (0.58) HSD17B10HSD17B1ESR2CA12CA1
SCHEMBL20695878 0.82 HSD17B10 (0.66) HSD17B10HSD17B1ESR2CA12CA1
SCHEMBL900834 0.82 HSD17B10 (0.71) HSD17B10HSD17B1ESR2ESR1CA12
SCHEMBL5582942 0.81 HSD17B10 (0.49) HSD17B10HSD17B1ESR2ESR1CA12
SCHEMBL29767860 0.81 ESR1 (0.51) HSD17B10ESR2ESR1CA12CA1
SCHEMBL9139879 0.81 MCL1 (0.55) HSD17B10ESR2ESR1CA12CA1
SCHEMBL5582941 0.81 HSD17B10 (0.56) HSD17B10ESR2ESR1CA12CA1
SCHEMBL21694758 0.79 CA12 (0.53) HSD17B10ESR2ESR1CA12CA1

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