SCHEMBL3360193

SCHEMBL3360193

CCCCCCC(CCCC)COc1ccc(-c2nc(-c3ccc(OCC(CCCC)CCCCCC)c(C)c3O)nc(-c3ccnn3C)n2)c(O)c1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRHR1 P34998 1/20 0.30
BDKRB2 P30411 1/20 0.30

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
SCHEMBL3363792 0.93 CYP3A4 (0.36) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3469000 0.85
SCHEMBL3468759 0.84 PRSS1 (0.30)
SCHEMBL13271098 0.83 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3469204 0.82 ALDH1A1 (0.32)
SCHEMBL3469027 0.80 PRSS1 (0.32)
SCHEMBL3360947 0.80 ALDH1A1 (0.36)
SCHEMBL3468887 0.79 KCNA3 (0.31)
SCHEMBL3468877 0.78 ALDH1A1 (0.33) CYP3A4CRHR1
SCHEMBL3469018 0.78 KCNA3 (0.32)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210887-A1 Bis resorcinyl triazine derivatives as protecting agents against UV radiation ISDIN, S.A. (ES) 2010-07-28 EP claimed
WO-2010081835-A2 BIS-RESORCINYL-TRIAZINE DERIVATIVES AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S. A. (ES) 2010-07-22 WO claimed
EP-2210887-A1 Bis resorcinyl triazine derivatives as protecting agents against UV radiation ISDIN, S.A. (ES) 2010-07-28 EP disclosed
WO-2010081835-A2 BIS-RESORCINYL-TRIAZINE DERIVATIVES AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S. A. (ES) 2010-07-22 WO disclosed