SCHEMBL7972229

SCHEMBL7972229

CCOC(=O)/C=C(/C)NC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX1 P07099 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RECQL P46063 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
SCHEMBL10561685 1.00 LMNA (0.45) LMNATHRBATML3MBTL1EPHX1
SCHEMBL1242806 0.98 LMNA (0.43) LMNATHRBATML3MBTL1EPHX1
SCHEMBL1242807 0.98 LMNA (0.43) LMNATHRBATML3MBTL1EPHX1
SCHEMBL2082055 0.92 NPSR1 (0.44) LMNATHRBATML3MBTL1EPHX1
SCHEMBL2082056 0.92 NPSR1 (0.44) LMNATHRBATML3MBTL1EPHX1
SCHEMBL4381636 0.83 NPSR1 (0.49) EPHX1NPSR1ALDH1A1HTTKDM4E
SCHEMBL4381639 0.83 NPSR1 (0.49) EPHX1NPSR1ALDH1A1HTTKDM4E
SCHEMBL8976976 0.81 NPSR1 (0.46) LMNATHRBATML3MBTL1EPHX1
SCHEMBL8977045 0.81 NPSR1 (0.46) LMNATHRBATML3MBTL1EPHX1
SCHEMBL10560406 0.81 NPSR1 (0.46) EPHX1NPSR1ALDH1A1KDM4E

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
US-6281295-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.R.L. (IT) 2001-08-28 US disclosed
EP-0735083-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL EUROP (CH) 2000-02-09 EP disclosed
EP-0735083-A1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1996-10-02 EP disclosed
US-RE32975-E FUNGICIDES, BACTERICIDES, FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
US-4284629-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed