SCHEMBL11874058

SCHEMBL11874058

CCc1ccc(COC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.68
▸ GAA P10253 1/20 0.68
▸ HTT P42858 1/20 0.68
▸ NMBR P28336 2/20 0.66
▸ LMNA P02545 1/20 0.64
▸ ECE1 P42892 4/20 0.61
▸ MME P08473 3/20 0.61
▸ ACE P12821 4/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ TACR1 P25103 2/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ITGB2 P05107 1/20 0.57
▸ ICAM1 P05362 1/20 0.57
▸ ITGAL P20701 1/20 0.57

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
SCHEMBL3808330 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL220800 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL29386277 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL29935468 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL29401760 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL1285921 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL11870437 0.92 MAPT (0.80) MAPTGAAHTTNMBRLMNA
SCHEMBL5403959 0.92 MME (0.69) MAPTGAAHTTNMBRLMNA
SCHEMBL11866933 0.90 KMT2A (0.74) MAPTGAAHTTNMBRLMNA
SCHEMBL9527035 0.90 NMBR (0.66) MAPTGAAHTTNMBRLMNA

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
US-4000297-A GASTROENTERIC ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1976-12-28 — — US disclosed
Send feedback