SCHEMBL7662931

SCHEMBL7662931

CCOC(=O)CC(CC(C)C)NC(=O)CN1CCN(c2ccc(/C(N)=N\O)cc2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
CNR2 P34972 1/20 0.35
F2 P00734 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MMEL1 Q495T6 1/20 0.32
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL7662938 1.00 ITGB3 (0.41) ITGB3ITGA2BCNR2F2ALDH1A1
SCHEMBL7653182 0.88 ITGB3 (0.42) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7653188 0.88 ITGB3 (0.42) ITGB3ITGA2BF2ALDH1A1TSHR
Acetic Acid SCHEMBL7654858 0.88 ITGB3 (0.40) ITGB3ITGA2BF2
SCHEMBL7658927 0.87 ALDH1A1 (0.39) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7658921 0.87 ALDH1A1 (0.39) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7660317 0.86 ITGB3 (0.40) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7660308 0.86 ITGB3 (0.40) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7651080 0.83 F2 (0.43) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7661045 0.83 ITGB3 (0.44) ITGB3ITGA2BF2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344456-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-02-05 US disclosed