SCHEMBL3972864

SCHEMBL3972864

C=CC[C@@H]1CC[C@H](n2cc(Br)c(=O)[nH]c2=O)O1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PYGM P11217 1/20 0.42
TK1 P04183 4/20 0.37
BCHE P06276 1/20 0.37
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.35
ESR1 P03372 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALB P02768 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL3970918 0.87 ALDH1A1 (0.49) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL24695865 0.83 ALDH1A1 (0.56) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL2035541 0.83 ALDH1A1 (0.56) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL10380346 0.83 ALDH1A1 (0.56) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL21277516 0.81 SMN1; SMN2 (0.53) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
Phosphoric Acid SCHEMBL3691397 0.79 ALDH1A1 (0.51) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL17135514 0.78 SMN1; SMN2 (0.47) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL3085565 0.77 SMN1; SMN2 (0.46) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL3090864 0.77 TK1 (0.55) SMN1; SMN2TK1BLMPMP22CYP1A2
SCHEMBL19389398 0.76 TK1 (0.52) ALDH1A1POLBKMT2ASMN1; SMN2TK1

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-2054406-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESprotect GmbH (DE) 2009-05-06 EP disclosed
WO-2008017515-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESPROTECT GMBH (DE) 2008-02-14 WO disclosed