SCHEMBL9099561

SCHEMBL9099561

Oc1cc(Cl)c(Cl)c(O)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 12/20 0.63
TSHR P16473 11/20 0.63
HPGD P15428 8/20 0.63
CASP1 P29466 1/20 0.63
CYP3A4 P08684 7/20 0.57
HSP90AA1 P07900 2/20 0.57
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 5/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
RECQL P46063 2/20 0.42
THRB P10828 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL69390 0.82 HSD17B10 (0.65) HSD17B10TSHRHPGDCASP1CYP3A4
SCHEMBL70073 0.82 HSD17B10 (0.72) HSD17B10TSHRHPGDCASP1CYP3A4
SCHEMBL29262426 0.79 HSD17B10 (0.46) HSD17B10TSHRHPGDCASP1CYP3A4
SCHEMBL134043 0.79 HSD17B10 (0.50) HSD17B10TSHRHPGDCASP1CYP3A4
SCHEMBL30631745 0.79 HSD17B10 (0.77) HSD17B10TSHRHPGDCASP1CYP3A4
SCHEMBL11832897 0.79 HSD17B10 (0.77) HSD17B10TSHRHPGDCASP1CYP3A4
Triclofenol SCHEMBL28856638 0.78 HSD17B10 (0.74) HSD17B10TSHRHPGDCASP1CYP3A4
SCHEMBL827930 0.78 HSD17B10 (1.00) HSD17B10TSHRHPGDCASP1CYP3A4
SCHEMBL11879785 0.77 HSD17B10 (0.57) HSD17B10TSHRHPGDCASP1CYP3A4
SCHEMBL11234833 0.77 HSD17B10 (0.57) HSD17B10TSHRHPGDCASP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512478-A PURIFIED DNA MOLECULES ENCODING PROTEIN ENZYMES; BIOREMEDIATION IDAHO RESEARCH FOUNDATION, INC. (US) 1996-04-30 US disclosed
US-5364787-A Genes and enzymes involved in the microbial degradation of pentachlorophenol IDAHO RESEARCH FOUNDATION (US) 1994-11-15 US disclosed
US-5276174-A Alk-1-enyloxy carbonates ISP INVESTMENTS INC. (US) 1994-01-04 US disclosed
WO-1993019169-A1 GENES AND ENZYMES INVOLVED IN THE MICROBIAL DEGRADATION OF PENTACHLOROPHENOL IDAHO RESEARCH FOUNDATION, INC. (US) 1993-09-30 WO disclosed
EP-0514482-A4 VINYL ETHER COMPOUNDS 1993-04-21 EP disclosed
EP-0514482-A1 VINYL ETHER COMPOUNDS ISP INVESTMENTS INC. (US) 1992-11-25 EP disclosed
WO-1991013052-A1 VINYL ETHER COMPOUNDS ISP INVESTMENTS INC. (US) 1991-09-05 WO disclosed
US-3987109-A POLYMERIZATION OF POLYFUNCTIONAL PHENOLS UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-10-19 US disclosed