SCHEMBL7935201

SCHEMBL7935201

COCOc1cc(C(=O)O)ccc1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
TTR P02766 2/20 0.51
TSHR P16473 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TPMT P51580 1/20 0.50
HTT P42858 2/20 0.47
XDH P47989 1/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL10200417 0.87 EGFR (0.51) EGFRTTRTSHRCA12CA1
SCHEMBL8180244 0.86 EGFR (0.50) EGFRCA12CA1CA2CA7
SCHEMBL3480035 0.85 TSHR (0.63) EGFRTTRTSHRCA12CA1
SCHEMBL3997365 0.83 TSHR (0.66) TTRTSHRCA12CA1CA2
SCHEMBL3480458 0.83 TSHR (0.61) EGFRTTRTSHRCA12CA1
SCHEMBL3046092 0.82 CA12 (0.71) EGFRTTRTSHRCA12CA1
SCHEMBL1629306 0.82 EGFR (0.52) EGFRTTRTSHRCA12CA1
SCHEMBL6568030 0.82 TSHR (0.73) EGFRTTRTSHRCA12CA1
SCHEMBL4218374 0.82 TTR (0.59) TTRTSHRCA12CA1CA2
SCHEMBL410669 0.81 CA1 (0.69) TTRTSHRCA12CA1CA2

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