SCHEMBL4659359

SCHEMBL4659359

COc1ccc(CC(=O)CNC(=O)O)cc1F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.45
ACHE P22303 1/20 0.43
CHRM4 P08173 2/20 0.43
MEP1B Q16820 1/20 0.43

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
SCHEMBL4660584 0.87 ALDH1A1 (0.56) HTTLMNAMAPK1ALDH1A1HPGD
SCHEMBL1295410 0.83 CACNA1H (0.42) HTTLMNAMAPK1ALDH1A1HPGD
SCHEMBL4660654 0.82 KMT2A (0.42) LMNARAB9AALDH1A1
SCHEMBL1036212 0.81 GAA (0.68) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL4661956 0.80 PPARD (0.47)
SCHEMBL4659342 0.80 MMP13 (0.48) LMNAALDH1A1
SCHEMBL20351813 0.80 HTT (0.50) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL1039522 0.79 HTT (0.51) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL27685889 0.78 ALOX5 (0.46) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL1979399 0.77 HTT (0.53) HTTLMNAMAPK1RAB9AALDH1A1

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