SCHEMBL10695579

SCHEMBL10695579

CCCCCCCCOc1cccc2[nH]c(-c3ccccc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.57
PDE4A P27815 4/20 0.57
PDE4B Q07343 4/20 0.57
PDE4C Q08493 4/20 0.57
PDE4D Q08499 4/20 0.57
CBFB Q13951 2/20 0.52
MCHR1 Q99705 2/20 0.49
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CYP2D6 P10635 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GNRHR P30968 2/20 0.45

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
SCHEMBL10695582 0.80 PDE5A (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28027630 0.78 HPSE (0.65) CBFBCYP2D6ALDH1A1TP53CYP3A4
SCHEMBL29625822 0.78 HPSE (0.65) CBFBCYP2D6ALDH1A1TP53CYP3A4
SCHEMBL7553357 0.77 DHODH (0.55) CBFBCYP2D6ALDH1A1TP53CYP3A4
SCHEMBL3969470 0.75 DHODH (0.52) CBFBCYP2D6ALDH1A1TP53CYP3A4
SCHEMBL7261542 0.74 DHODH (0.49) CBFBCYP2D6ALDH1A1TP53CYP3A4
SCHEMBL27723388 0.74 MCHR1 (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5970048 0.73 DHODH (0.58) ALDH1A1TP53CYP3A4ALOX15DHODH
SCHEMBL38656506 0.73 PDE5A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9320573 0.73 ATP4A (0.74) DRD2DRD3ALDH1A1SMN1; SMN2ATP4A

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-0251760-A2 Rubber composition Bridgestone Corporation (JP) 1988-01-07 EP disclosed