SCHEMBL21065670

SCHEMBL21065670

CCC(C(=O)O)N1C(=O)C=CC1=O.O=C1CCC(=O)N1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
DNMT1 P26358 1/20 0.37
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL964946 0.87 DNMT1 (0.44) ALDH1A1PKMDNMT1LMNAMAPT
SCHEMBL7443645 0.85 ALDH1A1 (0.38) ALDH1A1PKMDNMT1CA2HPGD
SCHEMBL698898 0.79 ALDH1A1 (0.56) ALDH1A1PKMLMNACA12CA1
SCHEMBL6047333 0.79 KMT2A (0.42) ALDH1A1PKMLMNACA12CA1
Ethylene Glycol SCHEMBL5092855 0.75 ALDH1A1 (0.51) ALDH1A1PKMLMNACA12CA1
SCHEMBL3735742 0.74 ALDH1A1 (0.36) ALDH1A1PKMDNMT1LMNACA12
SCHEMBL34436 0.73 LMNA (0.35) ALDH1A1PKMLMNACA12CA1
SCHEMBL28502906 0.73 DNMT1 (0.42) ALDH1A1DNMT1LMNAMAPTKMT2A
SCHEMBL2813031 0.73 ALDH1A1 (0.53) ALDH1A1PKMLMNACA12CA1
SCHEMBL11975541 0.72 MGLL (0.38) ALDH1A1PKMDNMT1LMNACA12

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
CN-108633278-B Amyloid conjugates and uses and methods thereof 艾拉科隆生物技术公司 2022-09-13 CN disclosed
EP-3390426-B1 AMYLOID CONJUGATE AND USES AND METHODS THEREOF ARACLON BIOTECH SL (ES) 2019-06-26 EP disclosed