SCHEMBL9242565

SCHEMBL9242565

CCCCCCCCCCCCCCCCC(C)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.58
SIGMAR1 Q99720 3/20 0.46
SLC6A2 P23975 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CNR2 P34972 1/20 0.45
DNM1 Q05193 1/20 0.44
MMP2 P08253 9/20 0.44
MMP1 P03956 4/20 0.44
MMP3 P08254 4/20 0.44

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
SCHEMBL16370367 1.00 CSNK1E (0.58) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL16752543 1.00 CSNK1E (0.58) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL16752541 1.00 CSNK1E (0.58) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL5678132 1.00 CSNK1E (0.58) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL25212657 1.00 CSNK1E (0.58) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL25204172 1.00 CSNK1E (0.58) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL6060574 1.00 CSNK1E (0.58) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL16752540 1.00 CSNK1E (0.58) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
Hydrogen Peroxide SCHEMBL27282969 0.98 CSNK1E (0.61) CSNK1ESIGMAR1CNR2MMP2MMP1
SCHEMBL6693090 0.98 CSNK1E (0.56) CSNK1ESIGMAR1SLC6A2TAAR1MAOA

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-0663918-A1 PURE ENANTIOMERS OF PHOSPHORIC-ACID ESTERS AS PHOSPHOLIPASE-A2 INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1995-07-26 EP disclosed
WO-1994009014-A1 PURE ENANTIOMERS OF PHOSPHORIC-ACID ESTERS AS PHOSPHOLIPASE-A2 INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1994-04-28 WO disclosed