SCHEMBL8311780

SCHEMBL8311780

COC(=O)c1ccc(O)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA12 O43570 1/20 0.51
CA7 P43166 1/20 0.51
XDH P47989 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL8315943 0.89 CA1 (0.51) CA1CA2CA12CA7XDH
SCHEMBL14131475 0.86 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL27342343 0.82 TSHR (0.44) CA1CA2CA12CA7XDH
SCHEMBL17432114 0.82 P4HB (0.47) CA1CA2CA12CA7XDH
SCHEMBL18176754 0.82 TSHR (0.44) CA1CA2CA12CA7XDH
Bromide SCHEMBL28461450 0.81 TSHR (0.42) CA1CA2CA12CA7XDH
SCHEMBL13866784 0.79 VCAM1 (0.51) HPGDMAPTALDH1A1LMNAKDM4E
SCHEMBL6825689 0.78 CA1 (0.56) CA1CA2CA12CA7XDH
SCHEMBL2667058 0.78 TSHR (0.56) CA1CA2HPGDMAPTALDH1A1
SCHEMBL7522545 0.77 CA1 (0.62) CA1CA2CA12CA7XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963981-A1 Biaryl heterocyclic aromatic compounds, pharmaceutical and cosmetic compositions containing them and uses thereof Galderma Research & Development, S.N.C. (FR) 1999-12-15 EP disclosed
EP-0732328-B1 Aromatic heterocyclic compounds, pharmaceutical and cosmetic compositions containing them and their uses CIRD GALDERMA (FR) 1998-09-09 EP disclosed
EP-0732328-A1 Aromatic heterocyclic compounds, pharmaceutical and cosmetic compositions containing them and their uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1996-09-18 EP disclosed