SCHEMBL8628259

SCHEMBL8628259

O=S(=O)(O)CCc1ccc2occc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.44
CYP2A6 P11509 2/20 0.41
EPM2A O95278 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC14A Q9UNH5 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
CA2 P00918 6/20 0.41
CA12 O43570 4/20 0.41
CTNNB1 P35222 4/20 0.40
WNT3A P56704 4/20 0.40
FDFT1 P37268 2/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL4521327 0.78 HTR1B (0.50) HTR1BCYP2A6EPM2APTPRCPTPN6
SCHEMBL13750531 0.75 FFAR1 (0.58) HTR1BCTNNB1WNT3A
SCHEMBL28326818 0.75 HTR1B (0.47) HTR1BCYP2A6EPM2APTPRCPTPN6
SCHEMBL31745723 0.74 KDM4E (0.53) HTR1BCYP2A6EPM2APTPRCPTPN6
SCHEMBL11097788 0.74 KDM4E (0.53) HTR1BCYP2A6EPM2APTPRCPTPN6
SCHEMBL4451104 0.74 HTR1B (0.50) HTR1BCYP2A6EPM2APTPRCPTPN6
SCHEMBL14051551 0.74 HTR1B (0.50) HTR1BCYP2A6EPM2APTPRCPTPN6
SCHEMBL2095978 0.74 HTR1B (0.50) HTR1BCYP2A6EPM2APTPRCPTPN6
SCHEMBL3792011 0.74 HTR1B (0.55) HTR1BCYP2A6EPM2APTPRCPTPN6
SCHEMBL2763193 0.74 HTR1B (0.50) HTR1BCYP2A6EPM2APTPRCPTPN6

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
EP-0496751-B1 HERBICIDAL COMBINATIONS OF ACTIVE SUBSTANCES HOECHST SCHERING AGREVO GMBH (DE) 1998-06-10 EP claimed