SCHEMBL8893537

SCHEMBL8893537

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MMP2 P08253 4/20 0.43
▸ MMP9 P14780 4/20 0.43
▸ MMP8 P22894 4/20 0.43
▸ MMP13 P45452 4/20 0.43
▸ BMP1 P13497 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40

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
SCHEMBL24291657 0.83 ALDH1A1 (0.43) LDHAL3MBTL1ALDH1A1BMP1TDP1
SCHEMBL5494081 0.81 LDHA (0.43) LDHAL3MBTL1ALDH1A1BMP1PPARG
SCHEMBL11400130 0.81 LDHA (0.43) LDHAL3MBTL1ALDH1A1BMP1PPARG
SCHEMBL11148899 0.81 LDHA (0.43) LDHAL3MBTL1ALDH1A1BMP1PPARG
SCHEMBL11579749 0.81 LDHA (0.43) LDHAL3MBTL1ALDH1A1BMP1PPARG
SCHEMBL10519344 0.81 LDHA (0.43) LDHAL3MBTL1ALDH1A1BMP1PPARG
SCHEMBL30552447 0.79 PDE4B (0.48) L3MBTL1ALDH1A1LMNAHSD17B10PPARG
SCHEMBL16991845 0.79 ALDH1A1 (0.49) LDHAL3MBTL1ALDH1A1LMNAPOLB
SCHEMBL25609121 0.79 ALDH1A1 (0.41) LDHAL3MBTL1ALDH1A1PPARGPPARA
SCHEMBL21741216 0.78 L3MBTL1 (0.41) LDHAL3MBTL1ALDH1A1TDP1ACHE

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-5624900-A HIGH BINDING ACTIVITY FOR HUMAN INTERLEUKIN-1; TREATING RHEUMATOID ARTHRITIS KURARAY CO., LTD. (JP) 1997-04-29 — — US disclosed
EP-0474141-B1 Peptide or its salts KURARAY CO (JP) 1996-01-31 — — EP disclosed
EP-0474141-A1 Peptide or its salts KURARAY CO., LTD. (JP) 1992-03-11 — — EP disclosed
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