SCHEMBL7109844

SCHEMBL7109844

COc1ccc(C(C)(C)C)cc1C=CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
RXRA P19793 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
BACE1 P56817 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
CAPN1 P07384 1/20 0.47
PKM P14618 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CSNK2A2 P19784 1/20 0.47

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
SCHEMBL7109843 1.00 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2948512 0.88 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2948511 0.88 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL10684720 0.83 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL10684725 0.83 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL7109850 0.82 FDPS (0.53) KDM4EALDH1A1SMN1; SMN2HPGDJUN
SCHEMBL7109852 0.82 FDPS (0.53) KDM4EALDH1A1SMN1; SMN2HPGDJUN
SCHEMBL529638 0.80 JUN (0.79) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9230387 0.80 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL1208686 0.80 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183236-B1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2003-10-22 EP disclosed
EP-1183236-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
US-6350778-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-26 US disclosed
WO-2000071513-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-30 WO disclosed