SCHEMBL3360185

SCHEMBL3360185

CCCCCCC(CCCC)COc1ccc(-c2nc(-c3ccc(OCC(CCCC)CCCCCC)c(C)c3O)nc(-c3cn(CC(CC)CCCC)c4ccccc34)n2)c(O)c1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
SPHK2 Q9NRA0 4/20 0.32
SPHK1 Q9NYA1 2/20 0.32
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
CNR2 P34972 8/20 0.32
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CNR1 P21554 3/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 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
SCHEMBL3361773 0.96 CA2 (0.33) PRSS1PRSS2PRSS3SPHK2SPHK1
SCHEMBL3360947 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3364964 0.86 ICMT (0.33) CNR2CNR1
SCHEMBL3363585 0.86 CA12 (0.34) SPHK2SPHK1CA2CA12CA1
SCHEMBL3363710 0.85 ALDH1A1 (0.37) CA2LMNAALDH1A1CYP3A4
SCHEMBL3469027 0.84 PRSS1 (0.32) PRSS1PRSS2PRSS3
SCHEMBL3468899 0.84 CRHR1 (0.34) CNR2
SCHEMBL3359268 0.84 CRHR1 (0.34) CNR2
SCHEMBL3468866 0.84 DYRK1A (0.35) CA2CNR2LMNATP53MAPT
SCHEMBL3469068 0.83 CRHR1 (0.34) CNR2

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