SCHEMBL4757472

SCHEMBL4757472

CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
HPGD P15428 2/20 0.55
FPR3 P25089 6/20 0.55
FPR2 P25090 6/20 0.55
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL8692897 0.93 CA1 (0.66) CA1CA2FPR3FPR2USP2
SCHEMBL22975096 0.92 CA1 (0.70) CA1CA2HPGDFPR3FPR2
SCHEMBL31203355 0.90 CA1 (0.64) CA1CA2HPGDFPR3FPR2
SCHEMBL14679151 0.87 CA1 (0.60) CA1CA2MEN1KMT2APOLB
SCHEMBL937131 0.86 CA1 (0.59) CA1CA2FPR3FPR2USP2
SCHEMBL6274441 0.86 CA1 (0.58) CA1CA2HPGD
SCHEMBL16265415 0.86 EGFR (0.55) CA1CA2HPGDFPR3FPR2
SCHEMBL4752807 0.84 CA1 (0.59) CA1CA2HPGDMEN1KMT2A
SCHEMBL4625768 0.84 MAPT (0.57) CA1CA2HPGDLMNAPOLB
SCHEMBL4758298 0.84 CA1 (0.57) CA1CA2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986996-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST Abiogen Pharma S.p.A. (IT) 2008-11-05 EP disclosed
WO-2007088571-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2007-08-09 WO disclosed