SCHEMBL4043128

SCHEMBL4043128

NC(=O)[C@@H](C[C@@H](O)[CH]Cc1ccccc1)C(=O)Nc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
EPHX2 P34913 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
HTT P42858 1/20 0.44
NAMPT P43490 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4039656 0.89 HDAC1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4045052 0.88 LMNA (0.46) SMN1; SMN2HTTLMNAKMT2A
SCHEMBL4040058 0.80 ALDH1A1 (0.45) PKMHDAC3HDAC4HDAC1HDAC7
SCHEMBL4046147 0.77 TSHR (0.44) SMN1; SMN2RAB9ANPC1HTTALDH1A1
SCHEMBL4044987 0.77 MMP8 (0.51) ALDH1A1GAAKMT2A
SCHEMBL4042233 0.74 PKM (0.48) PKMSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4342649 0.74 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1HTTALDH1A1
SCHEMBL4039621 0.74 CCNA2 (0.46) SMN1; SMN2RAB9ANPC1GAA
SCHEMBL4041195 0.73 MMP1 (0.41)
SCHEMBL3936972 0.72 REN (0.47) ALDH1A1LMNAKMT2A

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
EP-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 WO disclosed