SCHEMBL27427104

SCHEMBL27427104

COc1ccc(Br)c(N(C)C(=O)OC(C)(C)C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.36
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NCEH1 Q6PIU2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ PAX8 Q06710 1/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL27454730 0.80 MTNR1A (0.34) AAK1MTNR1AMTNR1BALDH1A1POLB
SCHEMBL23888206 0.78 MTNR1A (0.34) AAK1MTNR1AMTNR1BALDH1A1PKM
SCHEMBL30178314 0.78 MTNR1A (0.34) AAK1MTNR1AMTNR1BALDH1A1PKM
SCHEMBL22134679 0.78 ALDH1A1 (0.35) MTNR1AMTNR1BALDH1A1NCEH1PKM
SCHEMBL27457413 0.76 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1HTTMEN1
SCHEMBL31342724 0.76 BRD4 (0.43) AAK1MTNR1AMTNR1BALDH1A1CYP1A2
SCHEMBL4014579 0.76 BRD4 (0.43) AAK1MTNR1AMTNR1BALDH1A1CYP1A2
SCHEMBL13485114 0.74 HPGD (0.38) ALDH1A1POLBSMN1; SMN2L3MBTL1MAPT
SCHEMBL30755354 0.74 GRM6 (0.42) MTNR1AMTNR1BALDH1A1POLBCYP1A2
SCHEMBL27380064 0.74 GRM6 (0.42) MTNR1AMTNR1BALDH1A1POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101370505-B Treatment of ocular neovascular disorders such as macular degeneration, angioid streaks, uveitis and macular edema SMITHKLINE BEECHAM CORP 2012-03-21 — — CN disclosed
CN-101370505-A Treatment of ocular neovascular disorders such as macular degeneration, angioid streaks, uveitis and macular edema SMITHKLINE BEECHAM CORP (US) 2009-02-18 — — CN disclosed
CN-1114403-C Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-07-16 — — CN disclosed
CN-1238689-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-12-15 — — CN disclosed
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