SCHEMBL3344960

SCHEMBL3344960

COc1ccc(Cc2cc(C(=O)O)c[nH]c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.47
TYMS P04818 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
DAO P14920 2/20 0.46
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PLA2G4B P0C869 1/20 0.42
LTA4H P09960 1/20 0.41
SAE1 Q9UBE0 1/20 0.41

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
SCHEMBL3344785 0.88 CA1 (0.47) TYMSPOLBCA1CA2DAO
SCHEMBL14604111 0.83 GAA (0.45) RAB9ASMN1; SMN2DAO
SCHEMBL16486420 0.80 TSHR (0.43) TYMSRAB9ADAO
SCHEMBL16880522 0.79 KMT2A (0.56) TYMSRAB9APOLB
SCHEMBL4649050 0.79 PNP (0.42) DAOLMNA
SCHEMBL7268031 0.78 SRD5A2 (0.54) DAOMRGPRX4
SCHEMBL6471052 0.77 RNASEH1 (0.47)
SCHEMBL1586483 0.77 DAO (0.44) DAO
SCHEMBL16487097 0.75 POLB (0.39) RAB9ANPC1POLBCA1CA2
SCHEMBL11464459 0.74 CA1 (0.77) PTPN5RAB9ASMN1; SMN2NPC1POLB

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-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 WO disclosed