SCHEMBL6938611

SCHEMBL6938611

O=S(=O)(OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGF1 P05230 2/20 0.53
FGF2 P09038 2/20 0.53
VEGFA P15692 2/20 0.53
HPSE Q9Y251 2/20 0.53
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
SSTR1 P30872 2/20 0.46
SSTR2 P30874 2/20 0.46
SSTR4 P31391 2/20 0.46
SSTR3 P32745 2/20 0.46
SSTR5 P35346 2/20 0.46
PTPN1 P18031 8/20 0.45
CDC25B P30305 8/20 0.45
PTPN2 P17706 4/20 0.45
PTPN6 P29350 4/20 0.45
PTPN11 Q06124 4/20 0.45
NT5E P21589 1/20 0.44
BCHE P06276 1/20 0.41

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
SCHEMBL31103943 1.00 FGF1 (0.53) FGF1FGF2VEGFAHPSECA1
SCHEMBL6938614 1.00 FGF1 (0.53) FGF1FGF2VEGFAHPSECA1
SCHEMBL8992041 0.92 SSTR1 (0.54) FGF1FGF2VEGFAHPSECA1
SCHEMBL8992038 0.92 SSTR1 (0.54) FGF1FGF2VEGFAHPSECA1
SCHEMBL7906075 0.92 SSTR1 (0.56) FGF1FGF2VEGFAHPSECA1
SCHEMBL7906072 0.92 SSTR1 (0.56) FGF1FGF2VEGFAHPSECA1
SCHEMBL30074341 0.92 SSTR1 (0.56) FGF1FGF2VEGFAHPSECA1
SCHEMBL31103690 0.91 FGF2 (0.44) FGF1FGF2VEGFAHPSECA1
SCHEMBL8992084 0.84 SSTR1 (0.53) CA1CA2CA9SSTR1SSTR2
SCHEMBL8992076 0.84 SSTR1 (0.53) CA1CA2CA9SSTR1SSTR2

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-0787739-B1 Anti-adhesive piperidine and pyrollidine -carboxylic acids GLYCOREX AB (SE) 2003-01-29 EP disclosed
US-5739300-A Antiadhesive piperidine-and pyrrolidinecarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0787739-A1 Anti-adhesive piperidine and pyrollidine -carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-06 EP disclosed