SCHEMBL28396145

SCHEMBL28396145

CC(O)CCc1ccccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.58
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
SLC16A3 O15427 2/20 0.43
MAPT P10636 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KMT2A Q03164 1/20 0.42
TYR P14679 2/20 0.42
CLCN2 P51788 1/20 0.41
HMGB1 P09429 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
HTT P42858 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
SCHEMBL442094 0.87 FOLH1 (0.59) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL26861882 0.87 FOLH1 (0.63) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL9770541 0.87 SLC16A3 (0.52) FOLH1ALDH1A1TSHRSLC16A3
SCHEMBL10420751 0.86 ALDH1A1 (0.42) FOLH1ALDH1A1TSHRKMT2ATYR
SCHEMBL18301542 0.84 FOLH1 (0.56) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL27625953 0.84 FOLH1 (0.59) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL11710015 0.83 FOLH1 (0.54) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL29647810 0.83 FOLH1 (0.54) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL9750555 0.83 ABCB1 (0.42) FOLH1ALDH1A1TSHRMAPTKMT2A
SCHEMBL9770477 0.82 SLC16A3 (0.48) FOLH1ALDH1A1SLC16A3

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
CN-111148521-A Novel crop fortification, crop nutrition and crop protection compositions 阿鲁恩·维塔尔·沙旺特 2020-05-12 CN disclosed