SCHEMBL9745619

SCHEMBL9745619

CCCCCCCCCCCCC(OC(=O)CCCI)C1=CC(=O)OC1O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 5/20 0.37
PDCD4 Q53EL6 4/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
PTPN1 P18031 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34

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
SCHEMBL9326904 0.93 LMNA (0.42) PRKCAPDCD4LMNAMAPTMAPK1
SCHEMBL8985047 0.90 PRKCA (0.40) PRKCAPDCD4LMNAPTPN1
SCHEMBL8985099 0.89 FFAR4 (0.38) PRKCAPDCD4LMNAMAPK1PTPN1
SCHEMBL9282825 0.89 PPARG (0.39) PRKCAPDCD4LMNACNR1CNR2
SCHEMBL9327053 0.84 PTPN1 (0.43) PRKCAPTPN1
SCHEMBL8985076 0.83 PDCD4 (0.47) PDCD4
SCHEMBL14339054 0.83 PDCD4 (0.47) PDCD4
SCHEMBL7294590 0.83 PDCD4 (0.47) PDCD4
SCHEMBL9671381 0.83 PDCD4 (0.47) PDCD4
SCHEMBL9327478 0.83 PTPN1 (0.42) PRKCAMAPTPTPN1DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089485-A ANTI-INFLAMMATORY FURANONES ALLERGAN, INC. (US) 1992-02-18 US disclosed
EP-0369811-A2 Anti-inflammatory furanones ALLERGAN, INC (US) 1990-05-23 EP disclosed