SCHEMBL29132821

SCHEMBL29132821

NC(CCC(=O)O)(C(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ APEX1 P27695 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40

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
SCHEMBL29132820 1.00 CA12 (0.45) CA12CA9ALDH1A1KDM4EPOLB
SCHEMBL7799071 0.86 CA12 (0.42) CA12CA9ALDH1A1KDM4EPOLB
SCHEMBL7199054 0.82 CA12 (0.44) CA12CA9ALDH1A1KDM4EPOLB
SCHEMBL6108161 0.78 CA12 (0.45) CA12CA9ALDH1A1KDM4EPOLB
SCHEMBL10754180 0.74 POLB (0.38) CA12CA9ALDH1A1KDM4EPOLB
SCHEMBL11233381 0.73 CA12 (0.42) CA12CA9ALDH1A1KDM4EPOLB
SCHEMBL5706500 0.69 CA12 (0.47) CA12CA9ALDH1A1POLBHSD17B10
SCHEMBL7857485 0.68 PABPC1 (0.40) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5958910 0.68 NPSR1 (0.40) CA12CA9ALDH1A1KDM4EPOLB
SCHEMBL135305 0.67 CA12 (0.66) CA12CA9ALDH1A1KDM4EPOLB

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-117024878-A Modified polypropylene geogrid raw material and geogrid 山东路德新材料股份有限公司 2023-11-10 — — CN claimed
CN-117024878-A Modified polypropylene geogrid raw material and geogrid 山东路德新材料股份有限公司 2023-11-10 — — CN disclosed
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