SCHEMBL9314523

SCHEMBL9314523

CCCCCCN(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
OPRM1 P35372 3/20 0.51
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 4/20 0.46
TSHR P16473 4/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 3/20 0.41
HIF1A Q16665 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL9314218 1.00 DRD2 (0.51) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL9315385 1.00 DRD2 (0.51) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL9314208 0.87 ALDH1A1 (0.61) ALDH1A1MAPK1MAPTKDM4EHPGD
SCHEMBL9416938 0.86 ALDH1A1 (0.62) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL10795199 0.86 ALDH1A1 (0.67) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL9477127 0.86 ALDH1A1 (0.62) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL5151481 0.84 PTGS2 (0.58) ALDH1A1MAPK1KDM4EGAATSHR
SCHEMBL421708 0.84 PTGS2 (0.58) ALDH1A1MAPK1KDM4EGAATSHR
SCHEMBL421859 0.84 PTGS2 (0.58) ALDH1A1MAPK1KDM4EGAATSHR
SCHEMBL222426 0.84 PTGS2 (0.58) ALDH1A1MAPK1KDM4EGAATSHR

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-5292956-A For lubricants, mineral oils, polypropylene ETHYL CORPORATION (US) 1994-03-08 US claimed
US-5292956-A For lubricants, mineral oils, polypropylene ETHYL CORPORATION (US) 1994-03-08 US disclosed