SCHEMBL8957951

SCHEMBL8957951

CCC(=O)C(=O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL8957825 0.98 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL6624121 0.79 KMT2A (0.31) KMT2AALDH1A1KDM4E
SCHEMBL13448457 0.79 HTT (0.52) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL23553150 0.78 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL11286822 0.77 ATM (0.42) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL22691652 0.76 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL14126452 0.76 ATM (0.38) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL22691649 0.76 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL3184467 0.76 CA2 (0.41) L3MBTL1TDP1ATMALDH1A1SMN1; SMN2
SCHEMBL16391166 0.76 EPHX2 (0.33) MEN1KMT2ATDP1ALDH1A1HPGD

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
WO-2010025436-A2 NITROGEN AND SULFUR-CONTAINING HETEROCYCLE DERIVATIVES TRIAD MULTITECH PHARMACEUTICALS, INC. (US) 2010-03-04 WO disclosed
EP-0469889-B1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LTD (GB) 1996-01-17 EP disclosed
US-5189031-A Inhibitor of enzyme aldose reductase, useful in the treatment of certain peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-5110808-A Aldose reductase inhibitors; peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1992-05-05 US disclosed
EP-0469889-A1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed