SCHEMBL28053008

SCHEMBL28053008

COc1cccc(C#Cc2cccc(C(O)CCNC(=O)O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.51
MTNR1B P49286 5/20 0.51
CASR P41180 1/20 0.48
FFAR1 O14842 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PTGES O14684 2/20 0.46
EGLN1 Q9GZT9 1/20 0.45
AOC3 Q16853 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ALPL P05186 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL5069135 0.89 MTNR1A (0.62) MTNR1AMTNR1BCASRL3MBTL1AOC3
SCHEMBL3839542 0.86 PTPN11 (0.41) MTNR1AMTNR1BCASRFFAR1PTGES
SCHEMBL27941337 0.86 MTNR1A (0.44) MTNR1AMTNR1BCASRFFAR1L3MBTL1
SCHEMBL3862302 0.85 PTGES (0.49) MTNR1AMTNR1BCASRFFAR1PTGES
SCHEMBL3840890 0.81 KMT2A (0.37) MTNR1AMTNR1BCASRKMT2ALMNA
SCHEMBL3839399 0.80 ALOX5 (0.44) MTNR1AMTNR1BCASR
SCHEMBL16031499 0.79 PTGES (0.45) FFAR1PTGESLMNAHAO1GRM5
SCHEMBL16030517 0.79 GRM5 (0.38) MTNR1AMTNR1BPTGESMEN1KMT2A
SCHEMBL3863963 0.77 FFAR1 (0.40) FFAR1LMNA
SCHEMBL3859009 0.76 ALOX5 (0.35) MTNR1AMTNR1BPTGESALDH1A1LMNA

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
CN-105541769-A Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2016-05-04 CN disclosed
CN-103664637-B Be used for the treatment of ophthalmic diseases and disorderly alkynyl phenyl derivative compounds ACUCELA INC. (US) 2016-02-03 CN disclosed