SCHEMBL7584890

SCHEMBL7584890

COCOc1ccc(/C=C/C(=O)O)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SNCA P37840 2/20 0.52
GAA P10253 2/20 0.51
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
PKM P14618 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50

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
SCHEMBL7584892 1.00 MAPT (0.62) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL21464386 0.89 KDM4E (0.56) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL21464390 0.89 KDM4E (0.56) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL18300366 0.87 KDM4E (0.65) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL18300365 0.87 KDM4E (0.65) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL28044316 0.86 KDM4E (0.65) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL7290486 0.84 KDM4E (0.75) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL4679405 0.84 KDM4E (0.75) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL4679399 0.84 KDM4E (0.75) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL7290494 0.84 KDM4E (0.75) MAPTKDM4EALDH1A1HPGDALOX15

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-0947496-B1 Bicyclic aromatic compounds and their use in human and veterinary medicine as well as in cosmetology GALDERMA RES & DEV (FR) 2002-10-09 EP disclosed
EP-0947496-A1 Bicyclic aromatic compounds and their use in human and veterinary medicine as well as in cosmetology Galderma Research & Development, S.N.C. (FR) 1999-10-06 EP disclosed