SCHEMBL7930623

SCHEMBL7930623

COCOc1cc(C(=O)O)ccc1C#C[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49
EGFR P00533 1/20 0.44
TSHR P16473 3/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL8175421 0.88 EGFR (0.44) XDHEGFRCA12CA1CA2
SCHEMBL5281760 0.87 ALDH1A1 (0.46) TSHRCA12CA1CA2CA4
SCHEMBL6580918 0.82 MAP4K4 (0.52) XDHHPGDRAB9AMRGPRX4
SCHEMBL7931901 0.81 XDH (0.50) XDHEGFRTSHRCA12CA1
SCHEMBL3480035 0.77 TSHR (0.63) XDHEGFRTSHRCA12CA1
SCHEMBL2930875 0.76 TTR (0.41) XDHCA12CA1CA2CA7
SCHEMBL3480458 0.75 TSHR (0.61) XDHEGFRTSHRCA12CA1
SCHEMBL15955711 0.74 ALDH1A1 (0.49) ALDH1A1HPGD
SCHEMBL1629306 0.74 EGFR (0.52) XDHEGFRTSHRCA12CA1
SCHEMBL6568030 0.74 TSHR (0.73) EGFRTSHRCA12CA1CA2

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-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed