SCHEMBL8337243

SCHEMBL8337243

CCCCN(C)CC(=O)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
KDM5A P29375 11/20 0.50
KDM4C Q9H3R0 10/20 0.50
KDM4A O75164 2/20 0.47
PHF8 Q9UPP1 2/20 0.47
KDM5C P41229 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL15308552 0.86 ALDH1A1 (0.46) ALDH1A1KDM5AKDM4CKDM4APHF8
SCHEMBL14944839 0.79 KDM5A (0.57) ALDH1A1KDM5AKDM4CKDM4APHF8
SCHEMBL868479 0.79 KDM4C (0.52) ALDH1A1KDM5AKDM4CKDM4APHF8
SCHEMBL7082287 0.79 KDM4C (0.43) ALDH1A1KDM5AKDM4CKDM4APHF8
SCHEMBL6445581 0.79 KDM4C (0.43) ALDH1A1KDM5AKDM4CKDM4APHF8
SCHEMBL16510980 0.78 ALDH1A1 (0.50) ALDH1A1KDM5AKDM4CKDM4APHF8
SCHEMBL31198188 0.77 KDM4C (0.50) ALDH1A1KDM5AKDM4CKDM4APHF8
SCHEMBL8415760 0.77 KDM4C (0.42) ALDH1A1KDM5AKDM4CKDM4APHF8
SCHEMBL16213831 0.77 LTA4H (0.49) ALDH1A1KDM5AKDM4CKDM4APHF8
SCHEMBL7342338 0.77 EPHX2 (0.49) KDM5AKDM4CKDM4APHF8KDM5C

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-7524863-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-28 US disclosed
US-7524863-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-28 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 WO disclosed