SCHEMBL3266726

SCHEMBL3266726

COc1c(Cl)ccc(Cl)c1C(=O)OC=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ TSHR P16473 1/20 0.58
▸ TAS1R3 Q7RTX0 9/20 0.52
▸ TAS1R1 Q7RTX1 9/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TAS1R2 Q8TE23 7/20 0.44
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.36
▸ MEP1B Q16820 1/20 0.36
▸ TPMT P51580 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
SCHEMBL29613143 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL162688 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL30831899 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL19018434 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL21318213 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL10825543 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
3,6 Dichloromethoxybenzoic Acid SCHEMBL3266728 0.77 ALDH1A1 (0.86) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL29786135 0.77 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL28587834 0.77 DPP4 (0.35) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL24025594 0.76 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10TSHRTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328499-B1 METHOD OF PRODUCING CARBOXYLIC ACID SALTS BASF CORP (US) 2010-05-05 — — EP disclosed
US-6410783-B1 Method of producing carboxylic acid salts BASF CORPORATION 2002-06-25 — — US disclosed
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