SCHEMBL6249295

SCHEMBL6249295

CCc1ccc(NCC(=O)OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
APAF1 O14727 1/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
BLM P54132 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL23310021 0.86 POLB (0.66) POLBALDH1A1HPGDMEN1MAPT
SCHEMBL7438653 0.86 CYP4F2 (0.46) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL5346268 0.84 LOXL2 (0.53) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL7151292 0.82 POLB (0.49) POLBALDH1A1HPGDMEN1MAPT
SCHEMBL10299448 0.82 POLB (0.53) POLBALDH1A1HPGDMEN1MAPT
SCHEMBL14279383 0.82 LSS (0.46) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL1713162 0.81 CA1 (0.51) POLBALDH1A1HPGDMEN1MAPT
SCHEMBL9780021 0.81 KMT2A (0.57) POLBALDH1A1HPGDMEN1MAPT
SCHEMBL10955013 0.81 ALDH1A1 (0.52) POLBALDH1A1HPGDMEN1MAPT
SCHEMBL11650926 0.81 ALDH1A1 (0.47) POLBALDH1A1HPGDMEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112125824-B Synthetic method of alpha-cyanoglycine compound 西北师范大学(CN) 2023-01-13 CN disclosed
CN-112125824-A Synthetic method of alpha-cyanoglycine compound 西北师范大学 2020-12-25 CN disclosed
WO-2005049568-A1 A PROCESS FOR INDUSTRIALLY VIABLE PREPARATION OF (S,S,S) PHENYLMETHYL-2-AZABICYCLO-[3.3.0]-OCTANE-3-CARBOXYLATE TOSYLATE BABU POTLURI RAMESH (IN) 2005-06-02 WO disclosed