SCHEMBL8684173

SCHEMBL8684173

Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.45
CTSD P07339 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
DYRK1A Q13627 1/20 0.43
FSCN1 Q16658 1/20 0.43

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
SCHEMBL8683871 0.88 MGAM (0.46) PPARACTSDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL18612365 0.85 AURKB (0.48) PPARASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4246697 0.85 APP (0.56) PPARACTSDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL8686061 0.85 PPARA (0.45) PPARACTSDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL13588690 0.85 SMN1; SMN2 (0.50) PPARACTSDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL21471354 0.83 SMN1; SMN2 (0.50) PPARACTSDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL18580753 0.83 SMN1; SMN2 (0.67) PPARACTSDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4246691 0.82 SMN1; SMN2 (0.52) PPARACTSDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL8686521 0.82 PPARA (0.45) PPARASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL18554124 0.82 SMN1; SMN2 (0.44) PPARACTSDSMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712226-A Optically active D-pyridyloxy phenoxy propionate herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-27 US disclosed
US-5254527-A Optically active herbicidal ethyl-2-(4-(6-chloro-benzoxazol-2-yloxy)-phenoxy)-propionate HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-19 US disclosed
EP-0002800-B2 OPTICALLY ACTIVE ALPHA-PHENOXYPROPIONIC ACID DERVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 EP disclosed
EP-0192031-A1 Optically active phenoxypropionic acid derivatives BAYER AG (DE) 1986-08-27 EP disclosed
US-4596594-A For removal of unwanted vegetation BAYER AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
EP-0175199-A2 Phenoxypropionic acid derivatives BAYER AG (DE) 1986-03-26 EP disclosed
EP-0171724-A2 Phenoxypropanoic acid derivatives, process for their preparation, and their use as herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-19 EP disclosed
US-4531969-A Combatting growth of weeds HOECHST AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
EP-0002800-B1 Optically active alpha-phenoxypropionic acid dervatives HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-02 EP disclosed
EP-0002800-A1 Optically active alpha-phenoxypropionic acid dervatives HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 EP disclosed