SCHEMBL5800786

SCHEMBL5800786

CC([C]=O)c1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
HMGB1 P09429 2/20 0.42
NAPRT Q6XQN6 2/20 0.42
CA6 P23280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA14 Q9ULX7 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
SCHEMBL1889392 0.83 ALDH1A1 (0.46) ALDH1A1ALOX15TDP1GAAKMT2A
SCHEMBL29657201 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15TDP1GAAKMT2A
Benzene SCHEMBL28132022 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15TDP1GAAKMT2A
Hydrogen Peroxide SCHEMBL9514730 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15TDP1GAAKMT2A
SCHEMBL254364 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15TDP1GAAKMT2A
SCHEMBL134091 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15TDP1GAAKMT2A
SCHEMBL28432760 0.79 ALDH1A1 (0.56) ALDH1A1ALOX15TDP1GAAKMT2A
Ammonia Solution, Strong SCHEMBL11877644 0.79 ALDH1A1 (0.56) ALDH1A1ALOX15TDP1GAAKMT2A
SCHEMBL3917087 0.78 IRAK4 (0.35) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL2955775 0.78 ALDH1A1 (0.54) ALDH1A1ALOX15TDP1GAAKMT2A

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
WO-2006067406-A1 IMMUNOMODULATORY PEPTIDE FRAGMENTS OF CD23 AND USES THEREFOR ISIS INNOVATION LIMITED (GB) 2006-06-29 WO disclosed