SCHEMBL28537426

SCHEMBL28537426

O=C(OO)OC(=O)c1ccccc1C(=O)c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
AKR1C3 P42330 3/20 0.50
ALOX15 P16050 2/20 0.50
CDC25B P30305 5/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 3/20 0.44
CDC25A P30304 1/20 0.44
ATM Q13315 1/20 0.44
PRNP P04156 1/20 0.44
NR4A1 P22736 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2834372 0.87 ALDH1A1 (0.61) ALDH1A1AKR1C3ALOX15CDC25BCYP3A4
SCHEMBL9414389 0.85 ALDH1A1 (0.64) ALDH1A1AKR1C3ALOX15CDC25BCYP2C9
SCHEMBL10667395 0.83 ALDH1A1 (0.61) ALDH1A1AKR1C3ALOX15CDC25BCYP2C9
SCHEMBL29393238 0.80 ALDH1A1 (0.70) ALDH1A1AKR1C3ALOX15CDC25BCYP2C9
SCHEMBL713624 0.80 ALDH1A1 (0.70) ALDH1A1AKR1C3ALOX15CDC25BCYP2C9
SCHEMBL248317 0.80 ALDH1A1 (0.70) ALDH1A1AKR1C3ALOX15CDC25BCYP2C9
SCHEMBL7030042 0.78 ALDH1A1 (0.67) ALDH1A1AKR1C3ALOX15CDC25BCYP2C9
SCHEMBL6935 0.78 ALDH1A1 (0.67) ALDH1A1AKR1C3ALOX15CYP3A4CYP2C9
SCHEMBL16585286 0.78 ALDH1A1 (0.67) ALDH1A1AKR1C3ALOX15CDC25BCYP2C9
SCHEMBL29398136 0.78 ALDH1A1 (0.67) ALDH1A1AKR1C3ALOX15CYP3A4CYP2C9

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-109096836-B Fluororubber composition 广州弗西林橡塑有限公司 2021-04-06 CN disclosed