SCHEMBL9012418

SCHEMBL9012418

CC1CC(OC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)OC5CC(C)CC(C)(C)C5)cc4)nc(Nc4ccc(C(=O)OC5CC(C)CC(C)(C)C5)cc4)n3)cc2)CC(C)(C)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
IDH1 O75874 16/20 0.51
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL9590366 0.97 IDH1 (0.56) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL9012531 0.97 IDH1 (0.56) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6910050 0.86 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6910054 0.86 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6910053 0.86 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6909186 0.86 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6909183 0.86 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL3221159 0.82 LMNA (0.47) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL13894203 0.79 LMNA (0.71) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL3226422 0.77 LMNA (0.60) LMNAALDH1A1CYP3A4CYP1A2CYP2C9

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-0517104-B1 1,3,5-Triazine derivatives, their preparation and use as sunscreens 3V SIGMA SPA (IT) 1996-11-27 EP claimed
US-5233040-A Light stabilizers for synthetic polymers; sunscreen agents SIGMA PRODOTTI CHIMICI S.P.A. (IT) 1993-08-03 US claimed
EP-0517104-A1 1,3,5-Triazine derivatives, their preparation and use as sunscreens 3V SIGMA S.p.A (IT) 1992-12-09 EP claimed