SCHEMBL9354381

SCHEMBL9354381

CC(C)(C)OC(=O)NCC(=O)N1CCN(C(=O)OC(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.60
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPFFR1 Q9GZQ6 1/20 0.42
▸ NPFFR2 Q9Y5X5 1/20 0.42
▸ CTSS P25774 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ YAP1 P46937 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ ATM Q13315 1/20 0.41

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
SCHEMBL9354386 1.00 SIGMAR1 (0.60) SIGMAR1MAPK1KMT2AMEN1ALDH1A1
SCHEMBL9354851 0.90 SIGMAR1 (0.56) SIGMAR1MAPK1KMT2AMEN1ALDH1A1
SCHEMBL9354845 0.90 SIGMAR1 (0.56) SIGMAR1MAPK1KMT2AMEN1ALDH1A1
SCHEMBL7304469 0.84 KDM4E (0.57) MAPK1KMT2AMEN1YAP1GPR119
SCHEMBL7304465 0.84 KDM4E (0.57) MAPK1KMT2AMEN1YAP1GPR119
SCHEMBL14691386 0.81 SIGMAR1 (0.66) SIGMAR1KMT2AMEN1ALDH1A1TSHR
SCHEMBL7381400 0.81 KMT2A (0.51) MAPK1KMT2AMEN1YAP1GPR119
SCHEMBL7307138 0.81 KMT2A (0.51) MAPK1KMT2AMEN1YAP1GPR119
SCHEMBL1222005 0.79 SIGMAR1 (0.76) SIGMAR1KMT2AMEN1ALDH1A1NPFFR1
SCHEMBL7983465 0.77 SIGMAR1 (0.87) SIGMAR1KMT2AMEN1TSHRNPFFR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 — — EP disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 — — US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 — — US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 — — EP disclosed
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