SCHEMBL8492452

SCHEMBL8492452

CCO/C=C(\C(=O)c1ccc(Cl)cc1S(C)(=O)=O)C(=O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TYK2 P29597 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.35
F10 P00742 1/20 0.35
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MRGPRX1 Q96LB2 2/20 0.34
MEN1 O00255 1/20 0.32
POLB P06746 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
SCHEMBL8491501 1.00 HTT (0.37) HTTGAASMN1; SMN2TSHRNPSR1
SCHEMBL8489094 0.86 ALDH1A1 (0.34) HTTSMN1; SMN2TSHRNPSR1MAPT
SCHEMBL8489098 0.86 ALDH1A1 (0.34) HTTSMN1; SMN2TSHRNPSR1MAPT
SCHEMBL8491832 0.85 KMT2A (0.39) SMN1; SMN2TSHRMAPTKMT2AALDH1A1
SCHEMBL8491834 0.85 KMT2A (0.39) SMN1; SMN2TSHRMAPTKMT2AALDH1A1
SCHEMBL8673741 0.84 CACNA1B (0.40) SMN1; SMN2NPSR1TYK2
SCHEMBL8673739 0.84 CACNA1B (0.40) SMN1; SMN2NPSR1TYK2
SCHEMBL7552516 0.83 TYK2 (0.38) HTTGAATSHRTYK2MAPT
SCHEMBL7552513 0.83 TYK2 (0.38) HTTGAATSHRTYK2MAPT
SCHEMBL8489165 0.83 MEN1 (0.38) GAANPSR1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0527036-B1 4-Benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-11-06 EP disclosed
EP-0527036-A1 4-Benzoylisoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-02-10 EP disclosed