SCHEMBL3363792

SCHEMBL3363792

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CRHR1 P34998 3/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 2/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
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
SCHEMBL3360193 0.93 CYP1A2 (0.35) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL3469204 0.88 ALDH1A1 (0.32) ALDH1A1MAPK1
SCHEMBL3468877 0.85 ALDH1A1 (0.33) CYP3A4CRHR1ALDH1A1MAPK1LMNA
SCHEMBL3223605 0.82 CYP3A4 (0.42) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL3209071 0.82 CYP1A2 (0.39) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL3469120 0.82 PRKD3 (0.33) CYP3A4CRHR1ALDH1A1MAPK1LMNA
SCHEMBL3469062 0.81 LMNA (0.32) CYP3A4ALDH1A1MAPK1LMNACA2
SCHEMBL3360996 0.81 ALDH1A1 (0.34) CYP3A4ALDH1A1MAPK1LMNACA2
SCHEMBL3363710 0.79 ALDH1A1 (0.37) CYP3A4ALDH1A1LMNACA2
SCHEMBL3468902 0.78 ALDH1A1 (0.32) CYP3A4ALDH1A1MAPK1LMNACA2

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 3 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
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