SCHEMBL7394209

SCHEMBL7394209

CC(CSCc1ccccc1)(C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ADAM17 P78536 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40

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
SCHEMBL2944736 0.83 SLC6A2 (0.47) SLC6A2FNTAFNTBADAM17GPR84
SCHEMBL27939140 0.80 PBRM1 (0.45) SLC6A2FNTAFNTBADAM17GPR84
SCHEMBL28450714 0.78 GPR84 (0.43) SLC6A2FNTAFNTBADAM17GPR84
SCHEMBL7609416 0.77 SLC6A2 (0.41) SLC6A2FNTAFNTBADAM17GABRP
SCHEMBL6288556 0.75 PBRM1 (0.49) ADAM17GPR84KMT2AMEN1KDM4E
SCHEMBL17866728 0.73 PBRM1 (0.50) ADAM17GPR84KMT2AMEN1KDM4E
SCHEMBL7508029 0.72 MEN1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5174863 0.72 PBRM1 (0.49) ADAM17GPR84CTNNB1WNT3AKMT2A
SCHEMBL5172407 0.72 PBRM1 (0.49) ADAM17GPR84CTNNB1WNT3AKMT2A
SCHEMBL1810243 0.71 ALDH1A1 (0.47) ADAM17GPR84KMT2AMEN1KDM4E

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
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 WO disclosed