SCHEMBL21752003

SCHEMBL21752003

COc1ccc(C(=O)c2ccccc2O)c(O)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
KDM4E B2RXH2 4/20 0.69
ALOX15 P16050 4/20 0.69
MAPK1 P28482 3/20 0.69
HSD17B10 Q99714 3/20 0.69
LMNA P02545 5/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 3/20 0.59
HPGD P15428 3/20 0.59
AR P10275 2/20 0.59
RECQL P46063 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP1A2 P05177 1/20 0.59
PGR P06401 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
TBXA2R P21731 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
ADRA1A P35348 1/20 0.59

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
SCHEMBL11776410 0.92 MAPT (0.66) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL28008546 0.88 MAPT (0.71) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL489859 0.88 ALOX15 (0.60) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL93336 0.87 MAPT (0.61) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL9639006 0.84 MAPT (0.65) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL4060271 0.82 LMNA (0.62) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL8428996 0.82 LMNA (0.51) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL7336340 0.82 LMNA (0.58) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL93271 0.81 MAPT (1.00) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL28608000 0.81 ALOX15 (0.60) MAPTKDM4EALOX15MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988218-B Sarsasapogenin derivative and preparation method and application thereof 中国科学院上海药物研究所 2022-11-25 CN disclosed
CN-110121502-B Anti-depression compound and preparation method and application thereof 中国科学院上海药物研究所 2022-09-23 CN disclosed
CN-106551943-B Composition containing spirostane compound and application thereof 中国科学院上海药物研究所 2021-09-10 CN disclosed
EP-3840740-A1 METHODS FOR TREATING CONGENITAL DISORDERS OF GLYCOSYLATION Maggie's Pearl, LLC (US) 2021-06-30 EP disclosed
WO-2020040831-A1 METHODS FOR TREATING CONGENITAL DISORDERS OF GLYCOSYLATION PERLARA PBC (US) 2020-02-27 WO disclosed
CN-103183715-B Furostan type saponin derivative and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-19 CN disclosed
CN-103183715-A Furostan saponin derivative and purpose thereof SHANGHAI INST MATERIA MEDICA 2013-07-03 CN disclosed