SCHEMBL22986544

SCHEMBL22986544

CCC=CCCCCCCCCc1cccc(O)c1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CBS P35520 1/20 0.56
PPARA Q07869 3/20 0.50
MGLL Q99685 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
PPARG P37231 1/20 0.47
DRD2 P14416 2/20 0.46
DRD1 P21728 2/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL17244796 1.00 CBS (0.56) CBSPPARAMGLLHDAC6PPARG
Cardonol 13 SCHEMBL20567798 1.00 CBS (0.56) CBSPPARAMGLLHDAC6PPARG
SCHEMBL18742997 0.91 CBS (0.56) CBSPPARAMGLLHDAC6PPARG
SCHEMBL16767908 0.91 PPARA (0.56) CBSPPARAPPARGDRD2DRD3
SCHEMBL3700360 0.91 PPARA (0.60) CBSPPARAPPARGDRD2DRD3
SCHEMBL16679900 0.91 PPARA (0.56) CBSPPARAPPARGDRD2DRD3
SCHEMBL9630476 0.91 PPARA (0.60) CBSPPARAPPARGDRD2DRD3
SCHEMBL2688783 0.91 PPARA (0.60) CBSPPARAPPARGDRD2DRD3
SCHEMBL9630471 0.91 PPARA (0.60) CBSPPARAPPARGDRD2DRD3
SCHEMBL2291238 0.91 PPARA (0.60) CBSPPARAPPARGDRD2DRD3

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-3559065-B1 PHENOL RESIN FOR USE IN THE PHENOL RESIN COMPONENT OF A TWO-COMPONENT BINDER SYSTEM HUETTENES ALBERTUS CHEMISCHE WERKE GMBH (DE) 2021-02-17 EP disclosed