SCHEMBL7301468

SCHEMBL7301468

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 8/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAAA Q02083 1/20 0.34
ACE P12821 1/20 0.34
CPB2 Q96IY4 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
SCHEMBL9744998 0.84 PDCD4 (0.40) PDCD4NAAA
SCHEMBL9326398 0.82 PDCD4 (0.39) PDCD4NAAA
SCHEMBL9745643 0.81 PDCD4 (0.38) PDCD4CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL9766934 0.81 PDCD4 (0.37) PDCD4CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7296014 0.79 PDCD4 (0.47) PDCD4
SCHEMBL9325205 0.77 PDCD4 (0.41) PDCD4NAAA
SCHEMBL7294590 0.77 PDCD4 (0.47) PDCD4NAAA
SCHEMBL8985076 0.77 PDCD4 (0.47) PDCD4NAAA
SCHEMBL14339054 0.77 PDCD4 (0.47) PDCD4NAAA
SCHEMBL9671381 0.77 PDCD4 (0.47) PDCD4NAAA

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-5376676-A Process of using anti-inflammatory furanones as selective calcium channel inhibitors ALLERGAN, INC. (US) 1994-12-27 US disclosed
EP-0372940-A2 Anti-inflammatory 2-furanones ALLERGAN, INC (US) 1990-06-13 EP disclosed