SCHEMBL20008839

SCHEMBL20008839

CC(OC(=O)c1ccc(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)c2ccccc12)C(C)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL20008868 0.95 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20008836 0.84 CA1 (0.36) ALDH1A1
SCHEMBL20008919 0.81 MMP1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20008867 0.81 HDAC3 (0.36) HPGD
SCHEMBL20008938 0.81 HDAC4 (0.36) ALDH1A1
SCHEMBL25844837 0.81 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25845035 0.81 HPGDS (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11953038 0.81 ADRB2 (0.41) KDM4EALDH1A1HPGD
SCHEMBL25476057 0.78 SMN1; SMN2 (0.41) KDM4EHSD17B10
SCHEMBL25845037 0.76 ESR1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3

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-20180085019-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed