SCHEMBL8390211

SCHEMBL8390211

Nc1cc(OCc2ccccc2)ccc1Nc1ccccc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 5/20 0.66
▸ CTSL P07711 5/20 0.66
▸ SIRT2 Q8IXJ6 2/20 0.57
▸ CHRM4 P08173 1/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ CLCN2 P51788 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ CDC25B P30305 1/20 0.48
▸ MCL1 Q07820 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ NR4A2 P43354 2/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ NR4A3 Q92570 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL9183441 0.83 MEN1 (0.52) CTSVCTSLMEN1CASP3KMT2A
SCHEMBL31504338 0.82 CTSV (0.62) CTSVCTSLSIRT2CHRM4CHRM3
SCHEMBL21617230 0.82 CTSV (0.62) CTSVCTSLSIRT2CHRM4CHRM3
SCHEMBL5495792 0.81 MAOB (0.60) CTSVCTSLMEN1KMT2AMCL1
SCHEMBL8391099 0.81 AKR1C3 (0.71) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL10833797 0.80 SIRT2 (0.80) CTSVCTSLSIRT2CHRM4CHRM3
SCHEMBL10983488 0.80 CTSV (1.00) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL474131 0.78 NR4A2 (0.57) CTSVCTSLMEN1KMT2ACDC25B
SCHEMBL11650244 0.78 BRD4 (0.58) MEN1KMT2AMAOB
SCHEMBL4853225 0.78 LNPEP (0.48) MEN1KMT2AMAOB

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
US-5919780-A ANTICANCER AGENT, OR RESTENOSIS INHIBITING AGENT OR ANTIPSORIASIS AGENT OR ANTIVIRAL AGENT WARNER LAMBERT COMPANY (US) 1999-07-06 — — US disclosed
WO-1997000252-A1 TRICYCLIC INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-01-03 — — WO disclosed
US-5420123-A Dibenzodiazepine endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-05-30 — — US disclosed
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