SCHEMBL9873486

SCHEMBL9873486

CCOC(=O)c1cc(F)c(CC(=O)OC(c2ccccc2)c2ccccc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
LMNA P02545 3/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL3815313 0.81 TSHR (0.42) TSHRLMNAALDH1A1KDM4EMAPT
SCHEMBL9874142 0.79 TSHR (0.42) TSHRLMNAALDH1A1KDM4EMAPT
SCHEMBL9873509 0.79 TSHR (0.43) TSHRLMNAALDH1A1KDM4EMAPT
SCHEMBL9875016 0.79 TDP1 (0.42) TSHRLMNAALDH1A1KDM4EMAPT
SCHEMBL9873569 0.78 TP53 (0.41) TSHRLMNAALDH1A1KDM4EMAPT
SCHEMBL9873566 0.78 TP53 (0.41) TSHRLMNAALDH1A1KDM4EMAPT
SCHEMBL9874015 0.77 LMNA (0.40) TSHRLMNAALDH1A1KDM4EMAPT
SCHEMBL9873809 0.74 LMNA (0.36) TSHRLMNAALDH1A1KDM4EMAPT
SCHEMBL9873671 0.73 CRHBP (0.45) TSHRLMNAALDH1A1KDM4EMAPT
SCHEMBL2001481 0.71 TSHR (0.52) TSHRLMNAALDH1A1KDM4EMAPT

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
US-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed