SCHEMBL7584065

SCHEMBL7584065

CCCCCCCCCCCCCCCC(O)C#CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.45
SPHK1 Q9NYA1 2/20 0.45
FFAR1 O14842 2/20 0.45
HMGCR P04035 1/20 0.45
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL7749495 1.00 GPR84 (0.45) GPR84SPHK1FFAR1HMGCRLMNA
SCHEMBL7925293 0.98 HMGCR (0.42) GPR84SPHK1FFAR1HMGCRLMNA
SCHEMBL1101648 0.90
SCHEMBL736042 0.87 GPR84 (0.50) GPR84SPHK1FFAR1HMGCRLMNA
SCHEMBL736703 0.87 GPR84 (0.50) GPR84SPHK1FFAR1HMGCRLMNA
SCHEMBL736712 0.87 GPR84 (0.50) GPR84SPHK1FFAR1HMGCRLMNA
SCHEMBL735733 0.87 GPR84 (0.50) GPR84SPHK1FFAR1HMGCRLMNA
SCHEMBL736168 0.85 GPR84 (0.46) GPR84SPHK1FFAR1HMGCRLMNA
SCHEMBL17801634 0.83 GPR84 (0.46) GPR84SPHK1FFAR1HMGCRLMNA
SCHEMBL720248 0.82

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
EP-0943612-B1 Process for producing cyclic carbonic esters DAICEL CHEM (JP) 2002-07-24 EP disclosed
US-6054596-A Process for producing cyclic carbonic esters DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-25 US disclosed
EP-0943612-A1 Process for producing cyclic carbonic esters Daicel Chemical Industries, Ltd. (JP) 1999-09-22 EP disclosed