SCHEMBL7467864

SCHEMBL7467864

CCOc1csc2ccc(C(=O)c3cnoc3C3CC3)c(Cl)c12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
NR1H4 Q96RI1 6/20 0.32
TRPV1 Q8NER1 1/20 0.31
DHODH Q02127 2/20 0.31
PDE2A O00408 1/20 0.30
MAPT P10636 1/20 0.30
CSF1R P07333 1/20 0.30

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
SCHEMBL7462608 0.89 STAT3 (0.35) NR1H4DHODHPDE2A
SCHEMBL7469191 0.88 HCRTR2 (0.32) HCRTR2S1PR1S1PR3DHODHPDE2A
SCHEMBL7466704 0.81 DHODH (0.31) DHODH
SCHEMBL7464239 0.78 DHODH (0.32) NR1H4DHODHPDE2A
SCHEMBL7469350 0.74 DHODH (0.31) DHODHPDE2A
SCHEMBL8491127 0.74 ALDH1A1 (0.35) TRPV1DHODHPDE2A
SCHEMBL6054836 0.74 HTT (0.35) DHODHPDE2AMAPT
SCHEMBL7462861 0.74 KMT2A (0.38) MAPT
SCHEMBL7476511 0.74 TSHR (0.40) MAPT
SCHEMBL8492827 0.74 HPGD (0.39) DHODHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP claimed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US claimed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP claimed
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed