SCHEMBL7660271

SCHEMBL7660271

CCOC(=O)CC(CCc1ccccc1)NC(=O)CN1CCN(c2ccc(C(=N)N3CCCCC3)cc2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CTSL P07711 7/20 0.38
CTSK P43235 7/20 0.38
CTSB P07858 6/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MMEL1 Q495T6 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F10 P00742 3/20 0.37
F2 P00734 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL7652851 0.93 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7449898 0.90 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTHTT
Acetic Acid SCHEMBL7662510 0.88 F2 (0.47) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7658927 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7658921 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7662909 0.84 EP300 (0.42) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7451002 0.79 ITGB3 (0.48) ALDH1A1KMT2AMEN1MAPTHTT
Hydrochloric Acid SCHEMBL7656623 0.77 ITGB3 (0.45) ALDH1A1KMT2AMAPTKDM4EPOLB
Acetic Acid SCHEMBL7654858 0.76 ITGB3 (0.40) F10F2PRSS1
SCHEMBL7454754 0.74 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTHTT

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