SCHEMBL15859541

SCHEMBL15859541

CCCCCCCCOc1cc2c(cc1OCCCCCCCC)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc(OCCCCCCCC)c(OCCCCCCCC)cc41)-c1cc(OCCCCCCCC)c(OCCCCCCCC)cc1-3)c1cc(OCCCCCCCC)c(OCCCCCCCC)cc21.[Ni+2]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE5A O76074 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
TLR8 Q9NR97 2/20 0.37
PTPN11 Q06124 1/20 0.35
GCGR P47871 1/20 0.35
MAPK14 Q16539 1/20 0.35
MCHR1 Q99705 1/20 0.35
SRC P12931 1/20 0.34
GPR84 Q9NQS5 2/20 0.34
SOAT1 P35610 1/20 0.34

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
SCHEMBL30311148 0.99 SMPD1 (0.39) SMPD1PDE3BPDE3APDE5APDE4A
SCHEMBL8448199 0.99 SMPD1 (0.39) SMPD1PDE3BPDE3APDE5APDE4A
SCHEMBL1392449 0.99 SMPD1 (0.39) SMPD1PDE3BPDE3APDE5APDE4A
SCHEMBL1619886 0.97 SMPD1 (0.38) SMPD1PDE3BPDE3APDE5APDE4A
Zinc Ion SCHEMBL1392695 0.97 SMPD1 (0.38) SMPD1PDE3BPDE3APDE5APDE4A
SCHEMBL1393356 0.97 SMPD1 (0.38) SMPD1PDE3BPDE3APDE5APDE4A
Water SCHEMBL1393371 0.96 SMPD1 (0.40) SMPD1PDE3BPDE3APDE5APDE4A
SCHEMBL28035087 0.89 PDE5A (0.46) SMPD1PDE5APDE4APDE4BPDE4C
SCHEMBL28034499 0.89 PDE5A (0.46) SMPD1PDE5APDE4APDE4BPDE4C
SCHEMBL10861583 0.86 PDE3B (0.34) SMPD1PDE3BPDE3APDE5APDE4A

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-1589788-B1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL IND LTD (JP) 2014-07-09 EP disclosed