SCHEMBL7469824

SCHEMBL7469824

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
DHODH Q02127 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
CREBBP Q92793 1/20 0.32

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
Hydrochloric Acid SCHEMBL7464266 0.99 TSHR (0.41) TSHRHSD17B10LMNAL3MBTL1GLA
SCHEMBL7464261 0.88 KMT2A (0.34) TSHRHSD17B10L3MBTL1GLAKMT2A
SCHEMBL7466592 0.87 CA12 (0.40) TSHRHSD17B10LMNAKMT2AKDM4E
SCHEMBL7476511 0.82 TSHR (0.40) TSHRHSD17B10LMNAL3MBTL1GLA
Hydrochloric Acid SCHEMBL7462872 0.81 TSHR (0.39) TSHRHSD17B10LMNAL3MBTL1GLA
SCHEMBL7465160 0.80 MAPT (0.33) KMT2AALDH1A1
SCHEMBL7467609 0.75
SCHEMBL7469191 0.74 HCRTR2 (0.32) DHODH
SCHEMBL7462861 0.74 KMT2A (0.38) TSHRLMNAL3MBTL1GLAKMT2A
SCHEMBL7467904 0.72 CA12 (0.41) TSHRHSD17B10LMNAL3MBTL1KMT2A

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