SCHEMBL4659342

SCHEMBL4659342

Cc1cc(CC(=O)CNC(=O)O)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.48
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MMP10 P09238 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
DHODH Q02127 1/20 0.38
DAO P14920 1/20 0.38
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL4660654 0.88 KMT2A (0.42) MMP13HDAC1MEN1ALDH1A1LMNA
SCHEMBL1295333 0.82 MMP13 (0.41) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL1699671 0.80 KDM4E (0.50) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL4659359 0.80 HTT (0.48) ALDH1A1LMNA
SCHEMBL16148556 0.79 MMP13 (0.44) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL7965958 0.78 RAB9A (0.51) ALDH1A1LMNAKMT2A
SCHEMBL4659358 0.77 CTSD (0.41) P2RX7
SCHEMBL4659431 0.76 L3MBTL1 (0.54) MEN1ALDH1A1LMNAKMT2A
SCHEMBL14207934 0.76 MMP13 (0.48) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL4660680 0.76 RAB9A (0.49) ALDH1A1

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
EP-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO disclosed