SCHEMBL18780641

SCHEMBL18780641

Cc1cc(Cl)c(OCC(=O)O)cc1C

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
TSHR P16473 2/20 0.57
MCL1 Q07820 1/20 0.56
CYP2C19 P33261 1/20 0.55
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PPARD Q03181 2/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARG P37231 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.44

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
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL30445640 0.82 TDP1 (0.65) TDP1TSHRMCL1CYP2C19LMNA
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL4864791 0.82 TDP1 (0.65) TDP1TSHRMCL1CYP2C19LMNA
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL29525126 0.82 TDP1 (0.65) TDP1TSHRMCL1CYP2C19LMNA
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL117704 0.82 TDP1 (0.65) TDP1TSHRMCL1CYP2C19LMNA
SCHEMBL18780289 0.82 KDM4E (0.49) TDP1TSHRMCL1KDM4EALDH1A1
SCHEMBL16742711 0.82 TDP1 (0.60) TDP1TSHRMCL1CYP2C19LMNA
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL10613998 0.81 LMNA (0.64) TDP1TSHRMCL1CYP2C19LMNA
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL4586268 0.81 TDP1 (0.62) TDP1TSHRMCL1CYP2C19LMNA
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL13571505 0.81 TDP1 (0.62) TDP1TSHRMCL1CYP2C19LMNA
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL29484729 0.81 TDP1 (0.62) TDP1TSHRMCL1CYP2C19LMNA

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-2308977-B2 Novel herbicide resistance gene DOW AGROSCIENCES LLC (US) 2017-04-26 EP disclosed