SCHEMBL30499348

SCHEMBL30499348

COc1ccc2c(c1)C(=O)CC(F)(c1ccccc1)O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
KLK7 P49862 1/20 0.57
PPIB P23284 1/20 0.53
ABCB1 P08183 1/20 0.50
AR P10275 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
ALDH1A1 P00352 7/20 0.46
GAA P10253 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 3/20 0.44
CASP1 P29466 2/20 0.44
GLA P06280 1/20 0.44
CASP7 P55210 1/20 0.44
CYP19A1 P11511 3/20 0.43

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
SCHEMBL27745793 0.80 MAPT (0.57) KDM4EKLK7ARALDH1A1GAA
SCHEMBL2477934 0.79 SIGMAR1 (0.45) KDM4EARALDH1A1HSD17B10CYP19A1
SCHEMBL6086511 0.76 KDM4E (0.65) KDM4EKLK7PPIBALDH1A1GAA
SCHEMBL21159521 0.73 KDM4E (0.56) KDM4EKLK7PPIBABCB1AR
SCHEMBL620146 0.73 KDM4E (0.63) KDM4EKLK7PPIBALDH1A1GAA
SCHEMBL23957129 0.72 KDM4E (0.57) KDM4EKLK7PPIBABCB1AR
SCHEMBL9444279 0.72 KDM4E (0.68) KDM4EKLK7PPIBALDH1A1GAA
SCHEMBL27766576 0.72 KDM4E (0.57) KDM4EARALDH1A1MAPTHPGD
SCHEMBL29375243 0.72 KDM4E (0.60) KDM4EKLK7PPIBALDH1A1GAA
SCHEMBL28387593 0.72 ALDH1A1 (0.54) KDM4EKLK7PPIBABCB1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116322339-A Extract containing oleandrin and its preparation method 菲尼克斯生物技术公司 2023-06-23 CN disclosed