SCHEMBL9533922

SCHEMBL9533922

Cc1onc(-c2c(Cl)cccc2Cl)c1OC(=O)Cl

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
ALDH1A1 P00352 4/20 0.57
GAA P10253 2/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.52
PTGS2 P35354 4/20 0.52
GLA P06280 1/20 0.52
PKM P14618 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48

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
SCHEMBL9536365 0.91 LMNA (0.57) TSHRALDH1A1MAPTLMNAGLA
SCHEMBL5242545 0.89 ALDH1A1 (0.60) TSHRALDH1A1GAAMAPTLMNA
SCHEMBL9533615 0.84 HSD17B10 (0.59) ALDH1A1GAAMAPTLMNAL3MBTL1
SCHEMBL9537421 0.83 TSHR (0.53) TSHRALDH1A1GAAMAPTLMNA
SCHEMBL9535614 0.83 TSHR (0.53) TSHRALDH1A1GAAMAPTLMNA
SCHEMBL9535597 0.82 NR1H4 (0.53) TSHRPOLB
SCHEMBL9533421 0.82 SCN9A (0.49) TSHRALDH1A1GAAMAPTLMNA
SCHEMBL5242736 0.80 ALDH1A1 (0.58) ALDH1A1LMNAGLAKMT2AGPBAR1
SCHEMBL9535220 0.80 GHSR (0.51) TSHRALDH1A1GAAMAPTLMNA
SCHEMBL9535701 0.79 KMT2A (0.54) TSHRGAAPTGS2KMT2AGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573883-A1 Utilization of 3 substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives against endoparasites new 3-substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives and process for their preparation BAYER AG (DE) 1993-12-15 EP disclosed