SCHEMBL6825359

SCHEMBL6825359

CC(C)(O)C(c1ccc(Br)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX5 P09917 1/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
MME P08473 1/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
POLB P06746 1/20 0.33
CNR1 P21554 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL8155052 0.89 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2ALOX5LMNAALDH1A1
SCHEMBL17076396 0.85 ATM (0.40) ALOX5LMNACYP2D6MEN1KMT2A
SCHEMBL17076397 0.85 ATM (0.40) ALOX5LMNACYP2D6MEN1KMT2A
SCHEMBL16632962 0.83 CES2 (0.41) CYP2D6CYP2C9HIF1A
SCHEMBL2576026 0.80 ALOX5 (0.51) SMN1; SMN2CYP1A2ALOX5LMNAALDH1A1
SCHEMBL1270470 0.80 ALOX5 (0.51) SMN1; SMN2CYP1A2ALOX5LMNAALDH1A1
SCHEMBL2197076 0.80 ALOX5 (0.51) SMN1; SMN2CYP1A2ALOX5LMNAALDH1A1
SCHEMBL26931937 0.79 RARB (0.39) CYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL16563726 0.78 TRPV1 (0.40) ALDH1A1KMT2A
SCHEMBL16243710 0.77 LMNA (0.42) SMN1; SMN2CYP1A2ALOX5LMNAALDH1A1

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
WO-2004052363-A1 OXAZOLIDINONES USED AS ANTIVIRAL AGENTS, IN PARTICULAR FOR FIGHTING AGAINST CYTOMEGALOVIRUS BAYER HEALTHCARE AG (DE) 2004-06-24 WO disclosed