SCHEMBL4464185

SCHEMBL4464185

CC(C)(C)OC(=O)NC1(c2ccc(Br)cn2)[C@H]2COC[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.39
DGAT1 O75907 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
BCL2 P10415 2/20 0.35
AAK1 Q2M2I8 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
FPR3 P25089 4/20 0.33
FPR2 P25090 4/20 0.33
TSHR P16473 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL3368786 1.00 CPB2 (0.39) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3368795 1.00 CPB2 (0.39) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3368783 1.00 CPB2 (0.39) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL4464180 1.00 CPB2 (0.39) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3367087 0.86 DGAT1 (0.38) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3367084 0.86 DGAT1 (0.38) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3367092 0.86 DGAT1 (0.38) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3369093 0.83 USP30 (0.41) CPB2DGAT1BCL2POLBFPR3
SCHEMBL3369092 0.83 USP30 (0.41) CPB2DGAT1BCL2POLBFPR3
SCHEMBL3369097 0.83 USP30 (0.41) CPB2DGAT1BCL2POLBFPR3

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-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed