SCHEMBL7466592

SCHEMBL7466592

CCOC(=O)c1ccc2scc(OCC)c2c1SC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
DPP4 P27487 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7469824 0.87 TSHR (0.42) TSHRALDH1A1TDP1LMNAGAA
Hydrochloric Acid SCHEMBL7464266 0.86 TSHR (0.41) TSHRALDH1A1TDP1LMNAGAA
SCHEMBL7464261 0.86 KMT2A (0.34) TSHRALDH1A1TDP1MAPTKMT2A
SCHEMBL7467904 0.83 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7465160 0.78 MAPT (0.33) ALDH1A1SMN1; SMN2MAPTKMT2ARECQL
SCHEMBL7467609 0.73
SCHEMBL7462861 0.72 KMT2A (0.38) TSHRALDH1A1TDP1LMNAMAPT
SCHEMBL7476511 0.72 TSHR (0.40) TSHRALDH1A1TDP1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7462872 0.71 TSHR (0.39) TSHRALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL8609624 0.70 TSHR (0.50) CA12CA1CA2CA7CA9

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