SCHEMBL7717896

SCHEMBL7717896

CCCc1ccccc1C(=O)O.CCN(CC)CC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.56
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
CLCN2 P51788 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
SLC16A3 O15427 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ABCC1 P33527 1/20 0.42
PTPN1 P18031 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL29424595 0.91 FOLH1 (0.66) FOLH1CLCN2TSHRALDH1A1ALOX15
SCHEMBL241263 0.91 FOLH1 (0.66) FOLH1CLCN2TSHRALDH1A1ALOX15
SCHEMBL27905040 0.89 FOLH1 (0.63) FOLH1CLCN2TSHRALDH1A1ALOX15
Ammonia Solution, Strong SCHEMBL7713420 0.89 FOLH1 (0.63) FOLH1CLCN2TSHRALDH1A1ALOX15
SCHEMBL27937332 0.89 FOLH1 (0.63) FOLH1CLCN2TSHRALDH1A1ALOX15
Hydrochloric Acid SCHEMBL3180119 0.89 FOLH1 (0.63) FOLH1CLCN2TSHRALDH1A1ALOX15
Bromide SCHEMBL3182496 0.89 FOLH1 (0.63) FOLH1CLCN2TSHRALDH1A1ALOX15
Ammonia Solution, Strong SCHEMBL7713422 0.89 FOLH1 (0.63) FOLH1CLCN2TSHRALDH1A1ALOX15
SCHEMBL27691698 0.89 FOLH1 (0.63) FOLH1CLCN2TSHRALDH1A1ALOX15
SCHEMBL27904905 0.89 FOLH1 (0.63) FOLH1CLCN2TSHRALDH1A1ALOX15

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
US-6383275-B1 MIXTURE OF WATER, COLORANT AD WATER SOLUBLE DISCOLORATION INHIBITOR XEROX CORPORATION 2002-05-07 US claimed
US-6383275-B1 MIXTURE OF WATER, COLORANT AD WATER SOLUBLE DISCOLORATION INHIBITOR XEROX CORPORATION 2002-05-07 US disclosed