SCHEMBL9036630

SCHEMBL9036630

COc1cc(C)cc(OC)c1NC(=O)CNCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ HTT P42858 1/20 0.54
▸ OPRK1 P41145 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ LMNA P02545 1/20 0.51
▸ RECQL P46063 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ ATM Q13315 2/20 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
SCHEMBL9594659 0.80 ALDH1A1 (0.62) ALDH1A1HTTKDM4EGAAKMT2A
SCHEMBL25138828 0.77 ALDH1A1 (0.78) ALDH1A1HTTOPRK1KDM4EGAA
SCHEMBL9037210 0.76 GAA (0.54) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL12082741 0.74 PTPN1 (0.51) ALDH1A1HTTKDM4EMAPTKMT2A
SCHEMBL19910383 0.74 ALDH1A1 (0.64) ALDH1A1HTTKDM4EGAAMAPT
SCHEMBL9037517 0.72 LMNA (0.62) ALDH1A1KMT2ALMNAPKM
SCHEMBL27852723 0.72 RECQL (0.74) ALDH1A1HTTKDM4EGAAMAPT
SCHEMBL9463084 0.71 KMT2A (0.67) ALDH1A1HTTKDM4EGAAMAPT
SCHEMBL9594278 0.71 ATM (0.60) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL11100548 0.70 ALDH1A1 (0.58) ALDH1A1GAAMAPTKMT2AMEN1

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-0697403-A1 Derivatives of glycinamides as cholecystokinin receptor agonists SANOFI (FR) 1996-02-21 — — EP disclosed
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