SCHEMBL9130363

SCHEMBL9130363

O=C(O)c1ccc(CC(=O)c2ccccc2C(=O)O)cc1C(=O)CBr

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
FOLH1 Q04609 4/20 0.45
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
PTPN1 P18031 2/20 0.42
GSK3B P49841 1/20 0.42
APEX1 P27695 1/20 0.41
ALOX5 P09917 1/20 0.41
HNF4A P41235 1/20 0.41
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CFD P00746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1893853 0.83 ALDH1A1 (0.64) USP2TP53ALDH1A1ALOX15PTPN1
SCHEMBL31519376 0.83 ALDH1A1 (0.64) USP2TP53ALDH1A1ALOX15PTPN1
SCHEMBL22675387 0.79 USP2 (0.55) USP2TP53FOLH1ALDH1A1ALOX15
SCHEMBL1787541 0.77 USP2 (0.69) USP2TP53ALDH1A1ALOX15APEX1
SCHEMBL12820020 0.76 USP2 (0.59) USP2TP53FOLH1ALDH1A1ALOX15
SCHEMBL9409754 0.75 PTPN1 (0.65) ALDH1A1ALOX15PTPN1GSK3BKMT2A
SCHEMBL1689462 0.74 FOLH1 (0.54) USP2TP53FOLH1ALDH1A1ALOX15
SCHEMBL8880348 0.74 HPGDS (0.54) USP2TP53ALDH1A1KMT2AMEN1
SCHEMBL7663868 0.73 USP2 (0.64) USP2TP53ALDH1A1ALOX15KMT2A
SCHEMBL7811204 0.73 TP53 (0.64) USP2TP53ALDH1A1ALOX15APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438063-A Hypotensive agents, cardiac insufficiency, increased intraocular pressure, and CNS disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-08-01 US disclosed