SCHEMBL11870437

SCHEMBL11870437

Cc1ccc(COC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.80
▸ GAA P10253 1/20 0.80
▸ HTT P42858 1/20 0.80
▸ NMBR P28336 2/20 0.66
▸ P2RY14 Q15391 1/20 0.66
▸ TACR1 P25103 6/20 0.64
▸ LMNA P02545 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ MME P08473 3/20 0.61
▸ ECE1 P42892 3/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ ALOX15 P16050 1/20 0.60
▸ ACE P12821 1/20 0.60
▸ ITGB2 P05107 1/20 0.60
▸ ICAM1 P05362 1/20 0.60
▸ ITGAL P20701 1/20 0.60

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
SCHEMBL29935468 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL220800 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL29401760 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL1285921 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL3808330 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL29386277 0.92 NMBR (0.76) MAPTGAAHTTNMBRLMNA
SCHEMBL11874058 0.92 MAPT (0.68) MAPTGAAHTTNMBRTACR1
SCHEMBL5403959 0.92 MME (0.69) MAPTGAAHTTNMBRTACR1
SCHEMBL11866933 0.90 KMT2A (0.74) MAPTGAAHTTNMBRP2RY14
SCHEMBL11870726 0.90 TACR1 (0.72) MAPTGAAHTTNMBRTACR1

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
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