SCHEMBL11148899

SCHEMBL11148899

COc1ccc(CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C(C)(C)S)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NR1D1 P20393 1/20 0.39
▸ BMP1 P13497 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ CACNA1B Q00975 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL9497823 0.88 ALDH1A1 (0.39) L3MBTL1PPARGPPARATDP1ALDH1A1
SCHEMBL9497492 0.88 ALDH1A1 (0.39) L3MBTL1PPARGPPARATDP1ALDH1A1
SCHEMBL11400130 0.83 LDHA (0.43) LDHAL3MBTL1PPARGPPARATDP1
SCHEMBL11579749 0.83 LDHA (0.43) LDHAL3MBTL1PPARGPPARATDP1
SCHEMBL10519344 0.83 LDHA (0.43) LDHAL3MBTL1PPARGPPARATDP1
SCHEMBL8893537 0.81 LDHA (0.44) LDHAL3MBTL1PPARGPPARATDP1
SCHEMBL5494081 0.81 LDHA (0.43) LDHAL3MBTL1PPARGPPARATDP1
SCHEMBL24291657 0.80 ALDH1A1 (0.43) LDHAL3MBTL1TDP1ACHEALDH1A1
SCHEMBL16991845 0.78 ALDH1A1 (0.49) LDHAL3MBTL1PPARGPPARATDP1
SCHEMBL25609121 0.78 ALDH1A1 (0.41) LDHAL3MBTL1PPARGPPARATDP1

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-4371465-A Mammalian collagenase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1983-02-01 — — US disclosed
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