SCHEMBL9167331

SCHEMBL9167331

O=[As](O)(c1ccccc1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 1.00
KMT2A Q03164 4/20 0.56
CA4 P22748 4/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
MAPT P10636 3/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
GLA P06280 1/20 0.46
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
CES2 O00748 1/20 0.43
ESR1 P03372 2/20 0.40
MEN1 O00255 3/20 0.39
NPC1 O15118 2/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL159450 0.87 TDP1 (0.76) TDP1KMT2ACA4CA9CA14
SCHEMBL9173936 0.79 TDP1 (0.65) TDP1KMT2ACA4CA9CA14
SCHEMBL9176147 0.79 TDP1 (0.65) TDP1KMT2ACA4CA9CA14
SCHEMBL9175879 0.79 TDP1 (0.65) TDP1KMT2ACA4CA9CA14
SCHEMBL9177404 0.79 TDP1 (0.65) TDP1KMT2ACA4CA9CA14
Phenol SCHEMBL27865365 0.76 CA9 (0.69) TDP1KMT2ACA4CA9CA14
SCHEMBL9176757 0.74 TDP1 (0.59) TDP1CA4CA9CA14CA6
SCHEMBL9177348 0.74 TDP1 (0.59) TDP1KMT2ACA4CA9CA14
SCHEMBL9174936 0.74 TDP1 (0.59) TDP1KMT2ACA4CA9CA14
SCHEMBL9176214 0.74 TDP1 (0.59) TDP1KMT2ACA4CA9CA14

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-0496562-B1 Process for producing carboxylated compound MITSUBISHI GAS CHEMICAL CO (JP) 1995-03-29 EP disclosed
US-5310944-A Process for producing carboxylated compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-05-10 US disclosed
EP-0496562-A1 Process for producing carboxylated compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-07-29 EP disclosed