SCHEMBL28413752

SCHEMBL28413752

CCCCCCCCCCCC(=O)c1cccc(C(=O)OC)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
CDC25B P30305 2/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
ALOX12 P18054 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
CFTR P13569 1/20 0.45
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL28417411 1.00 ALDH1A1 (0.48) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL28417359 1.00 ALDH1A1 (0.48) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL27339010 0.94 ALDH1A1 (0.47) ALDH1A1KMT2ACDC25BPTPN2PTPN1
SCHEMBL27864020 0.84 HTT (0.51) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL28415093 0.84 HTT (0.51) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL27412787 0.84 HTT (0.51) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL28415272 0.84 HTT (0.51) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL11658216 0.84 HTT (0.51) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL27483873 0.84 HTT (0.51) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL27633055 0.84 HTT (0.51) ALDH1A1KMT2AHTTMEN1MAPT

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-111302969-A Anthranilic acid derivative and use thereof 福建莲珂科技有限公司 2020-06-19 CN disclosed