SCHEMBL11208414

SCHEMBL11208414

CCCCCCCCCCCCCCCCCCC([O])(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 6/20 0.54
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.50
FDPS P14324 9/20 0.46
SMPD1 P17405 2/20 0.44
CES2 O00748 1/20 0.44
LPAR1 Q92633 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44

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
SCHEMBL2344898 1.00 GGPS1 (0.54) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL2349286 1.00 GGPS1 (0.54) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL2341098 1.00 GGPS1 (0.54) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL2348414 1.00 GGPS1 (0.54) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL2344755 1.00 GGPS1 (0.54) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL2345798 0.97 GGPS1 (0.52) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL2345797 0.97 GGPS1 (0.52) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL2346111 0.97 GGPS1 (0.52) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL2341101 0.97 GGPS1 (0.52) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL2343934 0.97 GGPS1 (0.52) GGPS1TSHRTHRBFDPSSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4359404-A Hydrogenation of esters using alkali doped heterogeneous Group VIII transition metal catalysts ALLIED CORPORATION (US) 1982-11-16 US disclosed
US-4346240-A Hydrogenation of esters using alkali doped heterogeneous group VIII transition metal catalysts ALLIED CORPORATION (US) 1982-08-24 US disclosed
EP-0036939-A1 Hydrogenation of esters using alkali doped heterogeneous group VIII transition metal catalysts ALLIED CORPORATION (US) 1981-10-07 EP disclosed