SCHEMBL9875016

SCHEMBL9875016

C=C(C(=O)OC(c1ccccc1)c1ccccc1)c1c(F)cc(C(=O)OCC)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
TP53 P04637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 5/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 3/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9873569 0.86 TP53 (0.41) TDP1TP53NPSR1HTTTSHR
SCHEMBL9873566 0.86 TP53 (0.41) TDP1TP53NPSR1HTTTSHR
SCHEMBL9875162 0.81 NPSR1 (0.42) TDP1TP53NPSR1HTTTSHR
SCHEMBL9873486 0.79 TSHR (0.41) TDP1TP53NPSR1HTTTSHR
SCHEMBL9873509 0.78 TSHR (0.43) TDP1TP53NPSR1HTTTSHR
SCHEMBL9874015 0.76 LMNA (0.40) TDP1TP53NPSR1HTTTSHR
SCHEMBL9872913 0.74 KMT2A (0.41) TP53HTTTSHRLMNAALDH1A1
SCHEMBL9873809 0.73 LMNA (0.36) TDP1TP53NPSR1HTTTSHR
SCHEMBL2001481 0.70 TSHR (0.52) TDP1TP53NPSR1HTTTSHR
SCHEMBL27213906 0.66 CA12 (0.47) TDP1TP53NPSR1HTTTSHR

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