SCHEMBL7702748

SCHEMBL7702748

CCO/C=C(\C(=O)c1sccc1Cl)C(=O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
GAA P10253 3/20 0.33
PKM P14618 1/20 0.33
OPRM1 P35372 1/20 0.33
KDR P35968 2/20 0.31
KDM4E B2RXH2 1/20 0.31
AGTR1 P30556 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 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
SCHEMBL7702749 1.00 MAPT (0.37) MAPTKMT2AALDH1A1HTTGAA
SCHEMBL8488252 0.77 SLC6A4 (0.35) MAPTKMT2AALDH1A1HTTKDM4E
SCHEMBL8488251 0.77 SLC6A4 (0.35) MAPTKMT2AALDH1A1HTTKDM4E
SCHEMBL8491834 0.76 KMT2A (0.39) MAPTKMT2AALDH1A1KDM4ETDP1
SCHEMBL8491832 0.76 KMT2A (0.39) MAPTKMT2AALDH1A1KDM4ETDP1
SCHEMBL8388430 0.73 MAPT (0.33) MAPTALDH1A1TDP1
SCHEMBL8727304 0.72 TSHR (0.35) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL9242367 0.72 ABCG2 (0.32) MAPTALDH1A1HTTPOLB
SCHEMBL9242363 0.72 ABCG2 (0.32) MAPTALDH1A1HTTPOLB
SCHEMBL8489163 0.71 MEN1 (0.38) MAPTKMT2AALDH1A1GAAMEN1

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-0588357-B1 Isoxazoles derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-06-12 EP disclosed
EP-1156048-A1 Heteroaroyl-isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 2001-11-21 EP disclosed
US-5480857-A Herbicidal 4-heteroaroylisoxazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-01-02 US disclosed
EP-0588357-A1 Isoxazoles derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-03-23 EP disclosed