SCHEMBL30744978

SCHEMBL30744978

COC(=O)c1nc(OC(C)C)c2ccccc2c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.43
MCL1 Q07820 1/20 0.41
EDNRA P25101 1/20 0.40
GLRA1 P23415 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRP O00591 1/20 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
SCHEMBL30745057 0.81 LMNA (0.54) ALDH1A1LMNAHPGDUSP2TSHR
SCHEMBL30745039 0.77 NPSR1 (0.44) ALDH1A1LMNATSHRMAPTATM
SCHEMBL30744991 0.75 LMNA (0.48) ALDH1A1LMNAHPGDMAPTTDP1
SCHEMBL30688568 0.75 MAPT (0.55) ALDH1A1LMNAHPGDUSP2TSHR
SCHEMBL522937 0.74 TSHR (0.50) ALDH1A1LMNAHPGDUSP2TSHR
SCHEMBL20944034 0.73 EDNRA (0.52) LMNAHPGDMCL1EDNRAGABRP
SCHEMBL31636486 0.73 ALDH1A1 (0.51) ALDH1A1LMNAHPGDUSP2TSHR
SCHEMBL31636619 0.73 USP2 (0.51) ALDH1A1LMNAHPGDUSP2TSHR
SCHEMBL30745076 0.73 MAPT (0.57) ALDH1A1LMNAHPGDUSP2TSHR
SCHEMBL31636613 0.73 USP2 (0.48) ALDH1A1LMNAHPGDUSP2TSHR

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed