SCHEMBL9259979

SCHEMBL9259979

CCCC(C)OCCc1ccc(C(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
PLK1 P53350 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9251073 0.93 HSD17B10 (0.50) KMT2AHSD17B10MMP12MMP13L3MBTL1
SCHEMBL9256282 0.91 HSD17B10 (0.49) KMT2AHSD17B10MMP12MMP13L3MBTL1
SCHEMBL9261332 0.89 THRA (0.46) THRBTHRA
SCHEMBL9260814 0.88 RARB (0.50) KMT2ACA1CA2MAPTMEN1
SCHEMBL8161551 0.88 MMP12 (0.47) KMT2AHSD17B10MMP12MMP13LMNA
SCHEMBL8164558 0.84 MMP12 (0.53) KMT2AHSD17B10MMP12MMP13GAA
SCHEMBL9257183 0.83 THRA (0.49) THRBTHRA
SCHEMBL8159086 0.82 MMP12 (0.48) KMT2AHSD17B10MMP12MMP13L3MBTL1
SCHEMBL9260072 0.82 ALDH1A1 (0.54) KMT2AHSD17B10CA1CA2LMNA
SCHEMBL9253919 0.81 ESR1 (0.46) HSD17B10CA1CA2LMNAL3MBTL1

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