SCHEMBL11076596

SCHEMBL11076596

CCCNC(=O)OCC1(C(C)=O)CC=CCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
ACHE P22303 8/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
BCHE P06276 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL11077770 0.92 ACHE (0.45) KMT2AMEN1L3MBTL1ACHE
SCHEMBL11097319 0.89 ALDH1A1 (0.42) KMT2AMEN1L3MBTL1ALDH1A1CHRNB2
SCHEMBL11257066 0.88 MEN1 (0.33) KMT2AMEN1L3MBTL1
SCHEMBL11078887 0.86 ACHE (0.32) KMT2AMEN1L3MBTL1ACHE
SCHEMBL11247695 0.85 HRH4 (0.34) KMT2AMEN1L3MBTL1
SCHEMBL11074039 0.82 PKM (0.30) PKM
SCHEMBL11075843 0.82 SMN1; SMN2 (0.36) ALDH1A1
SCHEMBL11262679 0.80 CYP2D6 (0.34) KMT2A
SCHEMBL11071870 0.80 TSHR (0.30)
SCHEMBL11078195 0.79 HRH3 (0.34) BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026369-B1 CARBAMATES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-08-08 EP claimed
US-4335138-A HYPNOTIC, SEDATIVE BASF AKTIENGESELLSCHAFT (DE) 1982-06-15 US claimed
EP-0026369-A2 Carbamates, their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-04-08 EP claimed
EP-0026369-B1 CARBAMATES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-08-08 EP disclosed
US-4335138-A HYPNOTIC, SEDATIVE BASF AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed
EP-0026369-A2 Carbamates, their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-04-08 EP disclosed