SCHEMBL9498100

SCHEMBL9498100

CCCCC[C@@H](C=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.43
CNR2 P34972 1/20 0.42
CTSK P43235 7/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSH P09668 1/20 0.41
CSNK1E P49674 1/20 0.40

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
SCHEMBL2367121 0.98 CETP (0.46) CETPCNR2CTSKCTSLCTSB
SCHEMBL2367124 0.98 CETP (0.46) CETPCNR2CTSKCTSLCTSB
SCHEMBL10452494 0.95 CTSK (0.45) CETPCNR2CTSKCTSLCTSB
SCHEMBL31518969 0.89 SLC1A3 (0.42) CETPCTSKCTSLCTSBCTSH
SCHEMBL28428539 0.89 SLC1A3 (0.42) CETPCTSKCTSLCTSBCTSH
SCHEMBL6675434 0.84 CETP (0.40) CETPCNR2CSNK1E
SCHEMBL11733830 0.84 CETP (0.40) CETPCNR2CSNK1E
SCHEMBL6678199 0.83 CETP (0.42) CETPCNR2CSNK1E
SCHEMBL11180777 0.83 SLC1A3 (0.41)
SCHEMBL11180782 0.83 SLC1A3 (0.41)

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-5266703-A Optically active isoxazole derivatives DAISO CO., LTD. (JP) 1993-11-30 US disclosed
US-5220074-A Optically active isoxazole derivatives and intermediates for preparation thereof as well as processes for producing the same DAISO CO., LTD. (JP) 1993-06-15 US disclosed
US-5210201-A Optically active isoxazole derivatives and intermediates for preparation thereof as well as processes for producing the same DAISO CO., LTD. (JP) 1993-05-11 US disclosed
US-5198588-A OPTICALLY ACTIVE ISOXAZOLE DERIVATIVES AND INTERMEDIATES FOR PREPARATION THEREOF DAISO CO., LTD. (JP) 1993-03-30 US disclosed
EP-0439129-A2 Optically active isoxazole derivatives and intermediates for preparation thereof as well as processes for producing the same Daiso Co., Ltd. (JP) 1991-07-31 EP disclosed