SCHEMBL9660736

SCHEMBL9660736

CCOC(=O)c1ccc(C(F)(F)F)cc1SCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CFTR P13569 1/20 0.45
MAPT P10636 6/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
F2 P00734 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL18670053 0.86 KDM4E (0.46) CFTRMAPTKDM4EKMT2ANPSR1
SCHEMBL8618607 0.84 KDM4E (0.44) CFTRMAPTKDM4EKMT2ANPSR1
SCHEMBL38662583 0.82 ALDH1A1 (0.46) POLBHSD17B10KDM4ENPSR1L3MBTL1
SCHEMBL6848062 0.82 KDM4E (0.46) CFTRMAPTKDM4EKMT2ANPSR1
SCHEMBL18682159 0.78 CA1 (0.43) HSD17B10MAPTKDM4EL3MBTL1MRGPRX4
SCHEMBL4691963 0.77 CA12 (0.50) CFTRMAPTKDM4EKMT2ANPSR1
SCHEMBL28062575 0.75 ALDH1A1 (0.42) POLBHSD17B10MAPTKDM4EL3MBTL1
SCHEMBL5943406 0.74 CA12 (0.64) POLBCFTRMAPTKDM4EKMT2A
SCHEMBL16647662 0.74 MRGPRX4 (0.51) CFTRMAPTKDM4EKMT2ANPSR1
SCHEMBL1998616 0.74 CES2 (0.60) CFTRMAPTKDM4EKMT2ANPSR1

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-5118680-A COMBATING ENDOPARASITES WITH 3-HYDROXYBENZOTHIOPHENES BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed