SCHEMBL11707462

SCHEMBL11707462

CCCc1ccccc1C(=O)O.CCc1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.61
▸ SLC16A3 O15427 1/20 0.60
▸ FOLH1 Q04609 1/20 0.50
▸ RXRA P19793 2/20 0.48
▸ RXRB P28702 2/20 0.48
▸ TAS2R14 Q9NYV8 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RARB P10826 6/20 0.46
▸ BCL2 P10415 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RARA P10276 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PLK1 P53350 3/20 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
Paraben SCHEMBL4622466 0.86 TSHR (0.55) TSHRSLC16A3FOLH1RXRAHSD17B10
SCHEMBL6234070 0.85 FOLH1 (0.61) TSHRALDH1A1SLC16A3FOLH1
SCHEMBL29424595 0.85 FOLH1 (0.66) TSHRALDH1A1SLC16A3FOLH1HPGD
SCHEMBL241263 0.85 FOLH1 (0.66) TSHRALDH1A1SLC16A3FOLH1HPGD
Bromide SCHEMBL3182496 0.84 FOLH1 (0.63) TSHRALDH1A1SLC16A3FOLH1
SCHEMBL27691698 0.84 FOLH1 (0.63) TSHRALDH1A1SLC16A3FOLH1
Ammonia Solution, Strong SCHEMBL7713420 0.84 FOLH1 (0.63) TSHRALDH1A1SLC16A3FOLH1
Ammonia Solution, Strong SCHEMBL7713422 0.84 FOLH1 (0.63) TSHRALDH1A1SLC16A3FOLH1
Hydrochloric Acid SCHEMBL3180119 0.84 FOLH1 (0.63) TSHRALDH1A1SLC16A3FOLH1
SCHEMBL27937332 0.84 FOLH1 (0.63) TSHRALDH1A1SLC16A3FOLH1

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
US-4062904-A Removal of hydroxyl-, carboxy-, or amino substituents from aromatic compounds using a group VI B catalyst UOP INC. (US) 1977-12-13 — — US disclosed
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