SCHEMBL6464575

SCHEMBL6464575

CC(CCNC(=O)O)CC(=O)NCCC(C(=O)c1nc2cc(Cl)ccc2o1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
KMT2A Q03164 1/20 0.44
CASP3 P42574 2/20 0.40
FFAR2 O15552 1/20 0.40
XDH P47989 1/20 0.40
ALOX12 P18054 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 2/20 0.38
CETP P11597 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ANO1 Q5XXA6 1/20 0.36
CASR P41180 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CEPT1 Q9Y6K0 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
POLB P06746 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
SCHEMBL6475534 0.89 SMN1; SMN2 (0.39) LMNAKMT2AALOX12ALDH1A1SMN1; SMN2
SCHEMBL7049752 0.89 KMT2A (0.43) LMNAKMT2ACASP3FFAR2XDH
SCHEMBL7183396 0.87 CTSS (0.44) LMNAKMT2ACASP3FFAR2ALOX12
SCHEMBL6467567 0.82 CTSS (0.38) LMNAKMT2AXDHALOX12ALDH1A1
SCHEMBL7045311 0.78 KMT2A (0.42) LMNAKMT2AXDHTP53CASR
SCHEMBL6062139 0.77 CTSS (0.45) LMNASMN1; SMN2
SCHEMBL7046968 0.77 ELANE (0.44) LMNAXDHSMN1; SMN2
SCHEMBL7048562 0.77 LMNA (0.48) LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7112203 0.76 CTSS (0.56) LMNASMN1; SMN2CNR2
SCHEMBL7045283 0.75 CTSS (0.57) LMNAKMT2AALDH1A1SMN1; SMN2

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed