SCHEMBL4785951

SCHEMBL4785951

COC(=O)c1ccc(Cn2cc(C(=O)O)cn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.59
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ KLKB1 P03952 3/20 0.48
▸ KLK1 P06870 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ TAS2R8 Q9NYW2 1/20 0.46
▸ GRM2 Q14416 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 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
SCHEMBL1912400 0.87 HSD17B10 (0.77) HSD17B10L3MBTL1ALDH1A1KDM4EKLKB1
SCHEMBL3765456 0.86 KLKB1 (0.53) HSD17B10L3MBTL1ALDH1A1KDM4EKLKB1
SCHEMBL27370953 0.85 HSD17B10 (0.56) HSD17B10L3MBTL1ALDH1A1KDM4EKLKB1
SCHEMBL369349 0.84 L3MBTL1 (0.58) HSD17B10L3MBTL1KLKB1RAB9APOLB
SCHEMBL17221323 0.84 KLKB1 (0.56) HSD17B10L3MBTL1ALDH1A1KDM4EKLKB1
SCHEMBL30730236 0.84 HSD17B10 (0.48) HSD17B10L3MBTL1ALDH1A1MAPK10KDM4E
SCHEMBL30730185 0.84 POLB (0.62) L3MBTL1ALDH1A1MAPK10KDM4EPOLB
SCHEMBL4785257 0.84 KLKB1 (0.55) L3MBTL1ALDH1A1KDM4EKLKB1KLK1
SCHEMBL17895755 0.83 L3MBTL1 (0.60) HSD17B10L3MBTL1ALDH1A1KDM4EKLKB1
Hydrochloric Acid SCHEMBL31549317 0.83 L3MBTL1 (0.57) HSD17B10L3MBTL1KLKB1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089436-A2 CRYSTALLINE FORMS OF HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-07-24 — — WO disclosed
WO-2008089436-A2 CRYSTALLINE FORMS OF HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-07-24 — — WO disclosed
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