SCHEMBL9405591

SCHEMBL9405591

CCC(C)C(=O)c1ccc(-c2ccc(O)cc2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.50
HSP90AB1 P08238 1/20 0.44
HNF4A P41235 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
ALOX5 P09917 1/20 0.43
MGLL Q99685 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 1/20 0.40
KMT2A Q03164 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9405590 1.00 HSD17B1 (0.50) HSD17B1HSP90AB1HNF4AACMSDALOX5
SCHEMBL9407157 0.87 HSP90AB1 (0.58) HSP90AB1CA12CA1CA2CA7
SCHEMBL9407152 0.87 HSP90AB1 (0.58) HSP90AB1CA12CA1CA2CA7
SCHEMBL9405714 0.85 CYP3A4 (0.52) MEN1CYP3A4MAPTPPARGKMT2A
SCHEMBL9405712 0.85 CYP3A4 (0.52) MEN1CYP3A4MAPTPPARGKMT2A
SCHEMBL9405634 0.83 HTT (0.46) HSD17B1MGLLLMNAHTT
SCHEMBL9405633 0.83 HTT (0.46) HSD17B1MGLLLMNAHTT
SCHEMBL10339476 0.79 RARB (0.52) PPARG
SCHEMBL9405584 0.78 PDPK1 (0.56) HSD17B1CA12CA1CA2CA7
SCHEMBL9325685 0.78 PDPK1 (0.56) HSD17B1CA12CA1CA2CA7

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-0402110-B1 Optical active compounds and liquid crystal compositions containing such compounds WAKO PURE CHEM IND LTD (JP) 1994-12-14 EP disclosed
EP-0315193-B1 Optically active compound and chiral liquid crystal composition containing the same NIPPON TELEGRAPH & TELEPHONE (JP) 1994-04-06 EP disclosed
US-5128062-A OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SUCH COMPOUNDS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-07 US disclosed
US-5059345-A Spontaneous polarization in wide temperature range and high speed response NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1991-10-22 US disclosed
EP-0402110-A1 Optical active compounds and liquid crystal compositions containing such compounds WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1990-12-12 EP disclosed
EP-0315193-A2 Optically active compound and chiral liquid crystal composition containing the same NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1989-05-10 EP disclosed