SCHEMBL10698693

SCHEMBL10698693

CCCCCCCCCCC(C(N)=O)(C(C)O)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
SMPD1 P17405 2/20 0.40
CES2 O00748 1/20 0.40
FDPS P14324 1/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SOAT1 P35610 1/20 0.40
KMT2A Q03164 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL2800331 0.92 FAAH (0.54) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL5313151 0.92 FAAH (0.54) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL3336026 0.88 ACE2 (0.41) EPHX1SCN5ASCN9AACE2GPR84
SCHEMBL11398423 0.86 EPHX1 (0.43) EPHX1SCN5ASCN9ASMPD1CES2
SCHEMBL28064279 0.78 ACE2 (0.44) EPHX1MEN1FAAHTP53CYP1A2
SCHEMBL301700 0.78 CA1 (0.38) EPHX1SCN5ASCN9AFDPSMEN1
SCHEMBL23531039 0.74 EPHX1 (0.40) EPHX1SCN5ASCN9ASMPD1CES2
SCHEMBL15534410 0.74 EPHX1 (0.40) EPHX1SCN5ASCN9ASMPD1CES2
SCHEMBL29948228 0.74 EPHX1 (0.40) EPHX1SCN5ASCN9ASMPD1CES2
SCHEMBL18425207 0.74 EPHX1 (0.40) EPHX1SCN5ASCN9ASMPD1CES2

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
EP-0273980-A1 CAN WITH AN EASILY OPENABLE LID AND A PROCESS FOR PRODUCING THE SAME TOYO SEIKAN KAISHA, LTD. (JP) 1988-07-13 EP disclosed
US-4048123-A BORAX, SULFATE OR SULFONATE CONTAINING SURFACTANT BARNES-HIND PHARMACEUTICALS, INC. (US) 1977-09-13 US disclosed