SCHEMBL699045

SCHEMBL699045

O=C(O)c1cc(O)ccc1-c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.81
ALOX5 P09917 2/20 0.61
FOLH1 Q04609 1/20 0.59
AKR1C3 P42330 2/20 0.56
AKR1C2 P52895 2/20 0.56
AKR1C1 Q04828 2/20 0.56
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
PTGS2 P35354 1/20 0.55
ESR2 Q92731 1/20 0.55
PTPN1 P18031 4/20 0.55
HNF4A P41235 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
PTPN6 P29350 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL31506351 0.91 HSD17B10 (0.68) HSD17B10ALOX5FOLH1AKR1C3AKR1C2
SCHEMBL29737473 0.90 HSD17B10 (1.00) HSD17B10ALOX5FOLH1AKR1C3AKR1C2
SCHEMBL7550083 0.90 HSD17B10 (1.00) HSD17B10ALOX5FOLH1AKR1C3AKR1C2
Biphenyl SCHEMBL976757 0.90 HSD17B10 (0.72) HSD17B10ALOX5FOLH1AKR1C3AKR1C2
SCHEMBL30387687 0.85 HSD17B10 (0.76) HSD17B10ALOX5FOLH1CA12CA1
SCHEMBL30013531 0.85 HSD17B10 (0.76) HSD17B10ALOX5FOLH1CA12CA1
SCHEMBL7262126 0.85 HSD17B10 (0.76) HSD17B10ALOX5FOLH1CA12CA1
SCHEMBL3040769 0.84 HSD17B10 (0.58) HSD17B10ALOX5FOLH1AKR1C3AKR1C2
SCHEMBL28634056 0.84 HSD17B10 (0.63) HSD17B10ALOX5FOLH1CA12CA1
SCHEMBL3814907 0.83 HSD17B10 (0.79) HSD17B10ALOX5FOLH1AKR1C3AKR1C2

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61068449-A None JP disclosed
JP-63096152-A None JP disclosed
JP-11080092-A None JP disclosed
JP-4159254-A None JP disclosed
JP-2076839-A None JP disclosed
JP-11171838-A None JP disclosed
JP-7316100-A None JP disclosed
JP-4108764-A None JP disclosed
CN-109890365-A The composition of small molecule therapy immunomodulator compounds 戴尔普尔有限公司 2019-06-14 CN disclosed
EP-2424019-B1 Fuel cell membrane electrode assembly TORAY INDUSTRIES (JP) 2013-06-12 EP disclosed
US-4880560-A ENANTIOMORPHS, PHENYL OR BIPHENYL CARBOXYLIC ACID CANON KABUSHIKI KAISHA (JP) 1989-11-14 US disclosed
US-4831182-A Biphenyl-based diester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1989-05-16 US disclosed
US-4812259-A POLARIZATION, FERROELECTRICITY CANON KABUSHIKI KAISHA (JP) 1989-03-14 US disclosed
EP-0267585-A2 Fluoroalkane derivative, its composition and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1988-05-18 EP disclosed
JP-S6396152-A OPTICALLY ACTIVE LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING SAID COMPOUND CANON INC 1988-04-27 JP disclosed
US-4732699-A CHLORINE OR BROMINE SUBSTITUTED, DISPLAYING AJINOMOTO CO., INC. (JP) 1988-03-22 US disclosed
US-4695651-A Biphenyl-based diester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1987-09-22 US disclosed
EP-0207712-A1 Biphenyl carbonic acid ester compounds and liquid crystal composition containing the same AJINOMOTO CO., INC. (JP) 1987-01-07 EP disclosed
JP-S6168449-A BIPHENYL-TYPE DIESTER COMPOUND AND LIQUID CRYSTAL CONTAINING SAID COMPOUND AJINOMOTO CO INC 1986-04-08 JP disclosed
EP-0174816-A2 Biphenyl-based diester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-03-19 EP disclosed