SCHEMBL8045874

SCHEMBL8045874

COc1ccc(C(=O)c2ccccc2)c(OC(=O)/C=C/c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
KMT2A Q03164 4/20 0.62
NPC1 O15118 3/20 0.62
MEN1 O00255 3/20 0.62
RAB9A P51151 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.60
MAPK1 P28482 2/20 0.56
LMNA P02545 2/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
RECQL P46063 1/20 0.55
ATM Q13315 1/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
PGR P06401 1/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54

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
SCHEMBL8575920 0.87 MAPT (0.58) MAPTNPC1RAB9AMAPK1LMNA
SCHEMBL8387178 0.84 MAPT (0.60) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL32672129 0.84 MAPT (0.60) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL690306 0.82 KMT2A (0.54) MAPTKMT2AMEN1ABCG2KDM4E
SCHEMBL28716841 0.82 KMT2A (0.57) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL9211658 0.82 MAPT (0.68) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL27812148 0.80 MAPT (0.67) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL28968013 0.80 MAPT (0.67) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL16628764 0.80 KMT2A (0.57) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL30205105 0.80 NPC1 (0.81) MAPTKMT2ANPC1MEN1RAB9A

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
US-6165449-A Methods and compositions for improving sun protection from sunscreen formulations STEPAN COMPANY (US) 2000-12-26 US disclosed
US-5939046-A ASSESSING AN IMMUNE RESPONSE OF THE SKIN OF AT LEAST ONE MAMMAL TO AN ANTIGEN HALLIDAY GARY M (AU) 1999-08-17 US disclosed