SCHEMBL11309280

SCHEMBL11309280

CSC(C)(C(=O)O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 3/20 0.53
▸ SCN2A Q99250 3/20 0.53
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 1/20 0.53
▸ PPARA Q07869 4/20 0.46
▸ PPARD Q03181 3/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PIM3 Q86V86 1/20 0.43
▸ HIPK4 Q8NE63 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 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
SCHEMBL11308020 0.85 SCN2A (0.48) CA9SCN2ACA12CA1CA2
SCHEMBL11316620 0.80 NPC1 (0.58) KMT2AMEN1KDM4EGAARAB9A
SCHEMBL9108451 0.78 KMT2A (0.47) KMT2AMEN1KDM4EGAA
SCHEMBL13871737 0.76 KMT2A (0.58) CA9SCN2ACA12CA1CA2
SCHEMBL11565884 0.73 KMT2A (0.55) CA9SCN2ACA12CA1CA2
SCHEMBL10983149 0.73 CA9 (0.48) CA9SCN2ACA12CA1CA2
SCHEMBL4580181 0.73 NR1H3 (0.62) CA9SCN2ACA12CA1CA2
SCHEMBL6780924 0.72 SCN2A (0.54) CA9SCN2ACA12CA1CA2
SCHEMBL4649471 0.72 KMT2A (0.78) CA9SCN2ACA12CA1CA2
SCHEMBL22627090 0.72 KMT2A (0.56) CA9SCN2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4308208-A α-Methylthio-α-(p-phthalimidophenyl)-propionic acid SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-12-29 — — US claimed
US-4308208-A α-Methylthio-α-(p-phthalimidophenyl)-propionic acid SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-12-29 — — US disclosed
US-4308208-A α-Methylthio-α-(p-phthalimidophenyl)-propionic acid SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-12-29 — — US disclosed
US-4308208-A α-Methylthio-α-(p-phthalimidophenyl)-propionic acid SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-12-29 — — US disclosed
US-4278802-A METHYLTHIO-/P-/2-THIENYLCARBONYL/PHENYL/PROPIONIC ACID OR ESTER, PHARMACEUTICAL INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-07-14 — — US disclosed
US-4242519-A DRUG INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-12-30 — — US disclosed
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