SCHEMBL7812231

SCHEMBL7812231

CC(C=O)CN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
USP2 O75604 1/20 0.48
ANPEP P15144 1/20 0.43
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL20407544 0.84
SCHEMBL8902458 0.80 HSD17B10 (0.44) ALDH1A1USP2ANPEPLMNAMEN1
SCHEMBL9431693 0.78 HSD17B10 (0.47) ALDH1A1USP2ANPEPLMNAL3MBTL1
SCHEMBL7244900 0.76 ALDH1A1 (0.57) ALDH1A1USP2ANPEPLMNANPC1
SCHEMBL24547696 0.75 USP2 (0.59) ALDH1A1USP2ANPEPL3MBTL1MEN1
SCHEMBL20917412 0.75 USP2 (0.59) ALDH1A1USP2ANPEPL3MBTL1MEN1
SCHEMBL24444712 0.75 PIK3CD (0.34) HSD17B10
SCHEMBL3397541 0.75 SMN1; SMN2 (0.43) ALDH1A1ANPEPLMNAMEN1KMT2A
SCHEMBL200033 0.75 USP2 (0.58) ALDH1A1USP2ANPEPLMNANPC1
SCHEMBL17828102 0.75 USP2 (0.58) ALDH1A1USP2ANPEPLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294803-A1 CATALYST CONTAINING GUANIDINE GROUPS Sika Technology AG (CH) 2018-03-21 EP disclosed
WO-2016180840-A1 CATALYST CONTAINING GUANIDINE GROUPS SIKA TECHNOLOGY AG (CH) 2016-11-17 WO disclosed
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 EP disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 WO disclosed
US-5002830-A Isocyanate reacted with imino- or enamine-functional compound; RIM; cured composite ICI AMERICAS INC. (US) 1991-03-26 US disclosed