SCHEMBL9732184

SCHEMBL9732184

CCC#CCC(C)(C)C(=O)CP(=O)(O)OCC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.37
TSHR P16473 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30

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
SCHEMBL9731447 0.88 PPARD (0.37) PPARDTSHRFNTAFNTBPGGT1B
SCHEMBL9623857 0.78
SCHEMBL1549416 0.76 PPARD (0.47) PPARDTSHRFNTAFNTBPGGT1B
SCHEMBL4940540 0.74 PPARD (0.39) PPARD
SCHEMBL10837824 0.72 FNTA (0.43) PPARDFNTAFNTBPGGT1B
SCHEMBL3928508 0.68 PPARD (0.39) PPARDTSHRFNTAFNTBPGGT1B
SCHEMBL1549162 0.67 PPARD (0.50) PPARDTSHRFNTAFNTBPGGT1B
SCHEMBL9624216 0.67 PTPN7 (0.35)
SCHEMBL9623150 0.66 MEN1 (0.33) TSHR
SCHEMBL10547306 0.66 ALDH1A1 (0.41) PPARDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157042-A 3-OXA-5-FLUORO-CARBACYCLINS, THEIR PREPARATION AND USE AS MEDICINAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed