SCHEMBL7510046

SCHEMBL7510046

C=CCc1cc(C(=O)OC)ccc1O.C=CCc1cc(C(=O)OC)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.44
ELANE P08246 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NOTUM Q6P988 2/20 0.38
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37

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
SCHEMBL4771232 0.94 ELANE (0.46) PTPN1ELANEALDH1A1NOTUMCYP3A4
SCHEMBL8772571 0.84 SMN1; SMN2 (0.45) PTPN1ELANEALDH1A1HPGDLMNA
SCHEMBL27546795 0.83 ELANE (0.42) PTPN1ELANEALDH1A1HPGDHTT
SCHEMBL542210 0.82 CA1 (0.57) PTPN1POLBALDH1A1HPGDLMNA
SCHEMBL4838343 0.78 CYP4A11 (0.47) ELANEALDH1A1HPGDCA12CA1
SCHEMBL36007 0.78 PPARG (0.43) ALDH1A1HPGDNOTUMCYP1A2CYP2C19
SCHEMBL2314440 0.78 GAA (0.44) ALDH1A1HPGDNOTUMCYP1A2CYP2C19
SCHEMBL4774778 0.77 CYP4A11 (0.47) ELANEPOLBALDH1A1HPGDNOTUM
SCHEMBL3542900 0.76 PTPN1 (0.57) PTPN1ELANEPOLBGABRA1GABRB2
SCHEMBL8418577 0.76 PPARA (0.41) ELANEALDH1A1GABRA1GABRB2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP disclosed
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO 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