SCHEMBL3976556

SCHEMBL3976556

CCOc1ccc2oc(C)c(C(=O)O)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 7/20 0.69
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 4/20 0.68
MAPK1 P28482 2/20 0.68
HPGD P15428 2/20 0.68
RECQL P46063 1/20 0.68
HSD17B10 Q99714 1/20 0.68
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
LMNA P02545 2/20 0.67
BLM P54132 1/20 0.67
ATM Q13315 1/20 0.67
HTT P42858 1/20 0.67
POLB P06746 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.60
PTGS2 P35354 1/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60

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
SCHEMBL17324785 0.89 CASP3 (0.70) SLC26A4ALDH1A1KDM4EMAPK1HPGD
SCHEMBL19997207 0.87 ALDH1A1 (0.60) SLC26A4ALDH1A1KDM4EMAPK1HPGD
SCHEMBL26676568 0.85 SLC26A4 (0.65) SLC26A4ALDH1A1KDM4EMAPK1HPGD
SCHEMBL15897872 0.85 MEN1 (0.60) SLC26A4ALDH1A1KDM4EMAPK1HPGD
SCHEMBL26676637 0.85 SLC26A4 (0.65) SLC26A4ALDH1A1KDM4EMAPK1HPGD
SCHEMBL30664708 0.85 SLC26A4 (0.65) SLC26A4ALDH1A1KDM4EMAPK1HPGD
SCHEMBL24470655 0.84 CASP3 (0.84) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL26676529 0.84 LMNA (0.65) SLC26A4ALDH1A1KDM4EMAPK1HPGD
SCHEMBL26676598 0.84 LMNA (0.65) SLC26A4ALDH1A1KDM4EMAPK1HPGD
SCHEMBL29713158 0.84 CASP3 (0.84) SLC26A4KMT2AMEN1LMNABLM

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
WO-2009060030-A1 HETEROARYL-SUBSTITUTED 2-PYRIDINYLMETHYLAMINE DERIVATIVES Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2009-05-14 WO disclosed
EP-2058306-A1 Heteroaryl-substituted 2-pyridinyl-methylamine derivatives SCHWARZ PHARMA AG (DE) 2009-05-13 EP disclosed