SCHEMBL31504338

SCHEMBL31504338

CC(C)(C)c1cc(OCc2ccccc2)ccc1Nc1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 6/20 0.62
▸ CTSL P07711 6/20 0.62
▸ SIRT2 Q8IXJ6 2/20 0.51
▸ HCAR2 Q8TDS4 1/20 0.49
▸ CHRM4 P08173 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ CLCN2 P51788 1/20 0.48
▸ MAOB P27338 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ MCL1 Q07820 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ APAF1 O14727 1/20 0.45

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
SCHEMBL21617230 1.00 CTSV (0.62) CTSVCTSLSIRT2HCAR2CHRM4
SCHEMBL33372525 0.91 CTSV (0.51) CTSVCTSLSIRT2MAOBKMT2A
SCHEMBL21617191 0.91 CTSV (0.51) CTSVCTSLSIRT2MAOBKMT2A
SCHEMBL8390211 0.82 CTSV (0.66) CTSVCTSLSIRT2HCAR2CHRM4
SCHEMBL21617165 0.81 MAOB (0.46) CTSVCTSLCHRM4MAOBMEN1
SCHEMBL31504355 0.81 MAOB (0.46) CTSVCTSLCHRM4MAOBMEN1
SCHEMBL8391099 0.78 AKR1C3 (0.71) CTSVCTSLSIRT2AKR1C3AKR1C2
SCHEMBL10833797 0.77 SIRT2 (0.80) CTSVCTSLSIRT2CHRM4CHRM3
SCHEMBL10983488 0.77 CTSV (1.00) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL4251052 0.77 TAS2R14 (0.61) CLCN2AKR1C3AKR1C2CDC25BMEN1

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
CN-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
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