SCHEMBL8428996

SCHEMBL8428996

COc1ccc(C(=O)c2ccccc2O)c(O)c1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
ALOX15 P16050 2/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
AR P10275 2/20 0.51
CYP1A2 P05177 1/20 0.51
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
ADRA1A P35348 1/20 0.51
HIF1A Q16665 1/20 0.51
MAPT P10636 7/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL3226016 0.90 MAPT (0.49) LMNAALOX15CYP3A4HPGDCYP1A2
SCHEMBL4384097 0.88 MAPT (0.47) LMNAALOX15CYP3A4HPGDCYP1A2
SCHEMBL717833 0.84 MAPT (0.68) LMNAALOX15CYP3A4HPGDCYP1A2
SCHEMBL8427070 0.84 NPC1 (0.63) LMNAALOX15CYP3A4HPGDAR
SCHEMBL871131 0.83 MAPT (0.67) LMNAALOX15CYP3A4HPGDCYP1A2
Water SCHEMBL4668603 0.83 MAPT (0.67) LMNAALOX15CYP3A4HPGDCYP1A2
SCHEMBL7129528 0.83 NPC1 (0.61) LMNAALOX15CYP3A4HPGDAR
SCHEMBL21752003 0.82 MAPT (0.69) LMNAALOX15CYP3A4HPGDAR
SCHEMBL8429130 0.80 MAPT (0.63) LMNAALOX15CYP3A4HPGDAR
SCHEMBL93336 0.80 MAPT (0.61) LMNAALOX15CYP3A4HPGDAR

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-0662314-B1 Method of hair treatment KAO CORP (JP) 1999-11-03 EP disclosed
EP-0662314-A1 Method of hair treatment Kao Corporation (JP) 1995-07-12 EP disclosed