SCHEMBL9745643

SCHEMBL9745643

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 8/20 0.38
NAAA Q02083 1/20 0.35
CNR1 P21554 3/20 0.33
DAGLA Q9Y4D2 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9672604 0.86 PDCD4 (0.47) PDCD4NAAA
SCHEMBL7294590 0.86 PDCD4 (0.47) PDCD4NAAA
SCHEMBL14339054 0.86 PDCD4 (0.47) PDCD4NAAA
SCHEMBL9671381 0.86 PDCD4 (0.47) PDCD4NAAA
SCHEMBL8985076 0.86 PDCD4 (0.47) PDCD4NAAA
SCHEMBL9326904 0.84 LMNA (0.42) PDCD4ALDH1A1
Benzene SCHEMBL9328037 0.84 PDCD4 (0.45) PDCD4DAGLAALDH1A1
SCHEMBL9325019 0.83 PDCD4 (0.38) PDCD4NAAACNR1DAGLA
SCHEMBL9672430 0.83 NAAA (0.40) PDCD4NAAACNR1DAGLA
SCHEMBL8985069 0.83 PDCD4 (0.39) PDCD4NAAACNR1DAGLA

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