SCHEMBL9258997

SCHEMBL9258997

CC(=O)c1ccc(CCCCBr)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.65
KMT2A Q03164 3/20 0.57
THRA P10827 6/20 0.56
THRB P10828 6/20 0.56
LMNA P02545 1/20 0.50
RARB P10826 5/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL7743920 0.98 HSD17B10 (0.62) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL30831068 0.98 HSD17B10 (0.62) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL2763138 0.96 HSD17B10 (0.65) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL17457887 0.92 HSD17B10 (0.74) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL253937 0.88 KMT2A (0.61) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL11424105 0.87 HSD17B10 (0.74) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL8971297 0.84 HSD17B10 (0.65) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL8561241 0.84 LMNA (0.71) HSD17B10KMT2ALMNARARBALDH1A1
SCHEMBL9253738 0.84 CYP4A11 (0.66) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL963847 0.84 THRA (0.67) HSD17B10KMT2ATHRATHRBRARB

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 7 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
US-4260771-A VASODILATORS, ANTICOAGULANTS, IMMUNOLOGY MERCK & CO., INC. (US) 1981-04-07 US disclosed
US-4225609-A Interphenylene 9-thia-11-oxo-12-aza-prostanoic acids MERCK & CO., INC. (US) 1980-09-30 US disclosed