SCHEMBL8061271

SCHEMBL8061271

CCCCCCCCCCCCCCCCCCc1c(C(CCCCCCCCCCCCCCCCCC)OP(O)O)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 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
SCHEMBL4981170 0.83 ALOX5 (0.33) ALOX5TP53CYP2D6CYP2C9ALOX15
SCHEMBL6745067 0.83 SMPD1 (0.39) ALOX5TP53CYP2D6CYP2C9ALOX15
SCHEMBL28975264 0.75 PDE5A (0.36) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL7954072 0.75 CNR1 (0.37) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL688310 0.75 ALOX5 (0.42) ALOX5TP53CYP2C9CYP2C19
SCHEMBL30464707 0.75 ALOX5 (0.42) ALOX5TP53CYP2D6CYP2C9CYP2C19
SCHEMBL28360773 0.75 ALOX5 (0.42) ALOX5TP53CYP2D6CYP2C9CYP2C19
SCHEMBL22611950 0.74 TP53 (0.36) ALOX5TP53CYP2D6CYP2C9ALOX15
SCHEMBL17763431 0.74 TP53 (0.36) ALOX5TP53CYP2D6CYP2C9ALOX15
SCHEMBL7706320 0.74 ALOX5 (0.44) ALOX5TP53ALOX15

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
EP-0902853-B1 THERMALLY STABLE ACOUSTICAL INSULATION MINNESOTA MINING & MFG (US) 2000-05-24 EP disclosed