SCHEMBL6234070

SCHEMBL6234070

CCCc1ccccc1C(=O)O.CCc1ccccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.61
CLCN2 P51788 2/20 0.51
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
SLC16A3 O15427 3/20 0.48
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.46
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
HMGB1 P09429 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL241263 0.96 FOLH1 (0.66) FOLH1CLCN2ALDH1A1ALOX15SLC16A3
SCHEMBL29424595 0.96 FOLH1 (0.66) FOLH1CLCN2ALDH1A1ALOX15SLC16A3
SCHEMBL27691698 0.94 FOLH1 (0.63) FOLH1CLCN2ALDH1A1ALOX15SLC16A3
Bromide SCHEMBL3182496 0.94 FOLH1 (0.63) FOLH1CLCN2ALDH1A1ALOX15SLC16A3
SCHEMBL27905040 0.94 FOLH1 (0.63) FOLH1CLCN2ALDH1A1ALOX15SLC16A3
Ammonia Solution, Strong SCHEMBL7713420 0.94 FOLH1 (0.63) FOLH1CLCN2ALDH1A1ALOX15SLC16A3
SCHEMBL27904905 0.94 FOLH1 (0.63) FOLH1CLCN2ALDH1A1ALOX15SLC16A3
Hydrochloric Acid SCHEMBL3180119 0.94 FOLH1 (0.63) FOLH1CLCN2ALDH1A1ALOX15SLC16A3
Ammonia Solution, Strong SCHEMBL7713422 0.94 FOLH1 (0.63) FOLH1CLCN2ALDH1A1ALOX15SLC16A3
SCHEMBL27937332 0.94 FOLH1 (0.63) FOLH1CLCN2ALDH1A1ALOX15SLC16A3

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-1523468-A1 PREPARATIONS CONTAINING DIFORMATES AND SHORT-CHAIN CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2005-04-20 EP disclosed
WO-2004007416-A1 PREPARATIONS CONTAINING DIFORMATES AND SHORT-CHAIN CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-01-22 WO disclosed