SCHEMBL7465160

SCHEMBL7465160

CCOc1csc2ccc(C(=O)CC(=O)C3CC3)c(SC)c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
HTR7 P34969 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
SCHEMBL7472213 0.86 MAPT (0.35) MAPTSMN1; SMN2RECQLALDH1A1KMT2A
SCHEMBL7469824 0.80 TSHR (0.42) ALDH1A1KMT2A
SCHEMBL7464261 0.79 KMT2A (0.34) MAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7464266 0.79 TSHR (0.41) ALDH1A1KMT2A
SCHEMBL7466592 0.78 CA12 (0.40) MAPTSMN1; SMN2RECQLALDH1A1KMT2A
SCHEMBL7467609 0.78
SCHEMBL6183154 0.75 MTNR1A (0.36) MAPTALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL7469703 0.74 MTNR1A (0.36) MAPTSMN1; SMN2ALDH1A1KMT2AMTNR1A
SCHEMBL7469191 0.73 HCRTR2 (0.32)
SCHEMBL8389663 0.70 SMN1; SMN2 (0.36) MAPTSMN1; SMN2ALDH1A1KMT2A

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 4 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 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