SCHEMBL7474160

SCHEMBL7474160

CCOc1c(CC)sc2ccc(C(=O)O)c(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
ABL1 P00519 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
RIN1 Q13671 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACLY P53396 1/20 0.33
IKBKB O14920 1/20 0.33
STING1 Q86WV6 1/20 0.33
NOTUM Q6P988 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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 SCHEMBL7475287 0.99 LMNA (0.36) LMNAALDH1A1MEN1ABL1GAA
SCHEMBL7475277 0.90 KDM4E (0.34) LMNAALDH1A1MAPTSTING1NOTUM
SCHEMBL7466579 0.82 ADRA2A (0.35) LMNAALDH1A1KMT2AHTT
SCHEMBL7463947 0.81 KDM4E (0.31) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL7467024 0.76
SCHEMBL7466704 0.75 DHODH (0.31)
SCHEMBL7462434 0.74
SCHEMBL7476511 0.73 TSHR (0.40) LMNAALDH1A1MEN1MAPTHPGD
SCHEMBL7464408 0.72 TDP1 (0.40) LMNAALDH1A1MEN1MAPTHPGD
SCHEMBL9116067 0.72 MCL1 (0.44) LMNAALDH1A1MEN1GAAMAPT

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