SCHEMBL8216433

SCHEMBL8216433

CCCOCC(O)COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(OCC(O)COCCC)cc3O)n2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
MAPK10 P53779 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MAPT P10636 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
ADRB2 P07550 4/20 0.40
ADRB1 P08588 2/20 0.40
PLA2G4B P0C869 1/20 0.39
ALOX15 P16050 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL8383224 0.96 PLA2G4B (0.42) LMNAGAAMAPK10CNR1CNR2
SCHEMBL8517433 0.96 PLA2G4B (0.42) LMNAGAAMAPK10CNR1CNR2
SCHEMBL7887570 0.95 MAPT (0.43) LMNAGAAMAPK10CNR1CNR2
SCHEMBL6334661 0.94 PLA2G4B (0.41) LMNAGAAMAPK10CNR1CNR2
SCHEMBL6562548 0.93 PLA2G4B (0.47) LMNAGAAMAPK10CNR1CNR2
SCHEMBL14112068 0.93 PLA2G4B (0.40) LMNAGAAMAPK10CNR1CNR2
SCHEMBL8388708 0.92 ALOX15 (0.43) LMNAGAAMAPK10CNR1CNR2
SCHEMBL6341883 0.91 PLA2G4B (0.46) LMNAGAAMAPK10CNR1CNR2
SCHEMBL6331891 0.91 PLA2G4B (0.46) LMNAGAAMAPK10CNR1CNR2
SCHEMBL277377 0.90 MAPT (0.43) LMNAGAAMAPK10CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005325-A1 COSMETIC USE OF BIS(RESORCINYL)TRIAZINE DERIVATIVES Ciba SC Holding AG (CH) 2000-06-07 EP disclosed
WO-1999008653-A1 COSMETIC USE OF BIS(RESORCINYL)TRIAZINE DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-02-25 WO disclosed