SCHEMBL7896079

SCHEMBL7896079

CC(C)OCC(O)COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(OCC(O)COC(C)C)cc3O)n2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.43
ADRB2 P07550 2/20 0.41
ADRB1 P08588 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPK10 P53779 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
HPGD P15428 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38

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
SCHEMBL7887568 0.95 MAPT (0.42) NR2E1LMNACNR1CNR2GPR55
SCHEMBL276044 0.90 NPC1 (0.43) ADRB2ADRB1LMNAGAAMAPK10
SCHEMBL14202624 0.88 ADRB2 (0.42) ADRB2ADRB1LMNAGAAMAPK10
SCHEMBL8388708 0.88 ALOX15 (0.43) ADRB2ADRB1LMNAGAAMAPK10
SCHEMBL12755352 0.87 LMNA (0.45) ADRB2ADRB1LMNAGAAMAPK10
SCHEMBL14274500 0.87 CHRNA7 (0.44) LMNAGAAMEN1KMT2ATSHR
SCHEMBL15005560 0.87 LMNA (0.50) ADRB2ADRB1LMNAGAAMAPK10
SCHEMBL14793445 0.85 FGFR1 (0.46) LMNAGAAMAPK10CNR1CNR2
SCHEMBL769388 0.85 MAPT (0.38) ADRB2ADRB1LMNAGAAMAPK10
SCHEMBL29353912 0.85 MAPT (0.38) ADRB2ADRB1LMNAGAAMAPK10

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
US-6221342-B1 PROTECTING HUMAN AND ANIMAL SKIN AND HAIR FROM THE DAMAGING EFFECT OF UV RADIATION CIBA SPECIALTY CHEMICALS CORPORATION 2001-04-24 US disclosed
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