SCHEMBL7839161

SCHEMBL7839161

COCCC(=O)NC1(C(=O)OC)CCCC1.COCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 1/20 0.34
CTSL P07711 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
CNR2 P34972 1/20 0.32
GLS O94925 1/20 0.31
HTT P42858 1/20 0.30
MME P08473 1/20 0.30
TSHR P16473 2/20 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
SCHEMBL4771533 0.94 MAPT (0.46) MAPTALDH1A1L3MBTL1NPSR1CTSB
SCHEMBL4764313 0.84 CNR2 (0.42) MAPTALDH1A1CTSBCTSSCTSL
SCHEMBL4771518 0.80 SPHK1 (0.37) MAPTALDH1A1L3MBTL1CTSBCTSS
SCHEMBL13613119 0.75 MAPT (0.50) MAPTALDH1A1L3MBTL1NPSR1CTSB
SCHEMBL5525539 0.75 MAPT (0.44) MAPTALDH1A1L3MBTL1NPSR1CTSB
SCHEMBL27760068 0.75 SPHK1 (0.52) MAPTALDH1A1L3MBTL1CNR2
SCHEMBL29186066 0.74 MAPT (0.49) MAPTALDH1A1L3MBTL1NPSR1CTSB
SCHEMBL1115241 0.72 MAPT (0.51) MAPTALDH1A1L3MBTL1NPSR1CTSB
SCHEMBL29186053 0.72 MAPT (0.51) MAPTALDH1A1L3MBTL1NPSR1CTSB
SCHEMBL12323501 0.70 MAPT (0.45) MAPTALDH1A1L3MBTL1NPSR1CYP4F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP disclosed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 WO disclosed