SCHEMBL28630802

SCHEMBL28630802

NCCC(=O)OC(=O)c1ccccc1C(=O)O.[CaH2]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 4/20 0.40
HMGB1 P09429 2/20 0.40
AKR1C3 P42330 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA9 Q16790 1/20 0.38
NAPRT Q6XQN6 1/20 0.38

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
SCHEMBL28630572 0.97 ALDH1A1 (0.49) ALDH1A1ALOX15KDM4EHMGB1AKR1C3
SCHEMBL404782 0.89 ALDH1A1 (0.56) ALDH1A1ALOX15KDM4EHMGB1AKR1C3
SCHEMBL28694899 0.88 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4EHMGB1AKR1C3
SCHEMBL5523432 0.86 ALDH1A1 (0.52) ALDH1A1ALOX15KDM4EHMGB1AKR1C3
SCHEMBL27583154 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4EHMGB1AKR1C3
SCHEMBL9468429 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4EHMGB1AKR1C3
SCHEMBL27469326 0.83 KDM4E (0.50) ALDH1A1ALOX15KDM4EHTTKMT2A
SCHEMBL29090806 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15KDM4EHTTKMT2A
SCHEMBL27533156 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15KDM4EAKR1C3KMT2A
SCHEMBL27547208 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15KDM4EHMGB1AKR1C3

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-109054171-B Polypropylene toughening nucleating agent and preparation method thereof 广东炜林纳新材料科技股份有限公司 2021-09-14 CN disclosed