SCHEMBL19445716

SCHEMBL19445716

CCCC[C@@H](CCCCN)C(=O)Nc1ccc(O)c(C(=O)NC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ EGFR P00533 3/20 0.45
▸ PDF Q9HBH1 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALOX5 P09917 2/20 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
SCHEMBL19445698 0.79 LMNA (0.44) LMNACA1CA2CA7CA14
SCHEMBL19445708 0.74 KLKB1 (0.39) LMNACA1CA2PDFMEN1
SCHEMBL15894581 0.69 EGFR (0.55) CA1CA2CA7CA14EGFR
SCHEMBL19445622 0.69 ERAP2 (0.43) —
SCHEMBL21945409 0.69 TAS1R3 (0.52) LMNACA1CA2CA7CA14
SCHEMBL18882713 0.69 MEN1 (0.72) LMNACA1CA2CA7CA14
SCHEMBL11202803 0.68 CA12 (0.49) LMNACA1CA2EGFRMEN1
SCHEMBL2761543 0.68 MEN1 (0.64) LMNACA1CA2CA7CA14
SCHEMBL6009620 0.67 CA1 (0.57) LMNACA1CA2CA7CA14
SCHEMBL11488933 0.67 CA1 (0.55) LMNACA1CA2MEN1KMT2A

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
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
Send feedback