SCHEMBL9251073

SCHEMBL9251073

CCCC(C)OCCCc1ccc(C(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
THRA P10827 5/20 0.42
THRB P10828 5/20 0.42
RARB P10826 5/20 0.42
PLK1 P53350 1/20 0.42
GAA P10253 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
SCHEMBL9256282 0.96 HSD17B10 (0.49) HSD17B10KMT2AMMP12MMP13L3MBTL1
SCHEMBL9259979 0.93 KMT2A (0.44) HSD17B10KMT2AMMP12MMP13L3MBTL1
SCHEMBL9257183 0.90 THRA (0.49) THRATHRBRARB
SCHEMBL9252643 0.88 RARB (0.56) KMT2ARARB
SCHEMBL8161551 0.87 MMP12 (0.47) HSD17B10KMT2AMMP12MMP13L3MBTL1
SCHEMBL8159086 0.86 MMP12 (0.48) HSD17B10KMT2AMMP12MMP13L3MBTL1
SCHEMBL9261332 0.85 THRA (0.46) THRATHRBRARB
SCHEMBL9254255 0.85 THRB (0.45) KMT2AL3MBTL1THRATHRB
SCHEMBL9259723 0.83 ESR1 (0.51) HSD17B10
SCHEMBL8164558 0.83 MMP12 (0.53) HSD17B10KMT2AMMP12MMP13RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385693-A Having rapid response and low phase transition temperature SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0357372-B1 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL CO (JP) 1994-11-17 EP disclosed
US-5264151-A Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed
US-5124070-A High speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-23 US disclosed
EP-0357372-A2 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 EP disclosed