SCHEMBL7435609

SCHEMBL7435609

Cc1cc(O)cc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.54
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
HSD17B2 P37059 1/20 0.44
LMNA P02545 1/20 0.43
FFAR1 O14842 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
CCNA1 P78396 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NR3C1 P04150 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
SCHEMBL5674278 0.84 F2 (0.52) F2LMNAGPR17
SCHEMBL5673350 0.83 HTR6 (0.43) F2PGRESR2GPR17
SCHEMBL7441047 0.81 F2 (0.56) F2MMP13FFAR1FFAR4AR
SCHEMBL5866138 0.81 MEN1 (0.48) F2LMNAESR2NPSR1MAPT
SCHEMBL5672962 0.80 F2 (0.53) F2PGR
SCHEMBL5675882 0.80 F2 (0.42) F2HSD17B2PGRESR2MAPK1
SCHEMBL5675812 0.79 ALDH1A1 (0.45) F2LMNA
Orcinol SCHEMBL5674545 0.78 F2 (0.51) F2PGR
SCHEMBL5675825 0.77 P2RY2 (0.47) F2PGRGPR17KAT6A
SCHEMBL5674249 0.76 F2 (0.57) F2ESR2CYP3A4CYP2C19CYP1A2

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-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP disclosed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed