SCHEMBL7303502

SCHEMBL7303502

COc1ccc(OCc2ccccc2)cc1C[C@H](N)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.64
MEN1 O00255 1/20 0.64
HSP90AA1 P07900 1/20 0.64
HSP90AB1 P08238 1/20 0.64
PLA2G2A P14555 1/20 0.64
KMT2A Q03164 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.52
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
PTPN1 P18031 1/20 0.50
MMP1 P03956 1/20 0.48
HTR2A P28223 1/20 0.47

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
SCHEMBL5285095 0.84 HTR2A (0.65) MEN1KMT2AHTR2A
SCHEMBL30861230 0.84 HTR2A (0.65) MEN1KMT2AHTR2A
Hydrochloric Acid SCHEMBL31327595 0.83 HTR2A (0.63) MEN1KMT2AHTR2A
SCHEMBL15957303 0.82 LTA4H (0.57) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A
SCHEMBL30148504 0.82 MAOB (0.53) L3MBTL1PPARAPPARGPPARDHTR2A
SCHEMBL6036137 0.81 HSD17B10 (0.68) MEN1KMT2AL3MBTL1PPARAPPARG
SCHEMBL8964099 0.80 MMP1 (0.57) KMT2AMMP1
SCHEMBL8964094 0.80 MMP1 (0.57) KMT2AMMP1
SCHEMBL421657 0.79 BCHE (0.56) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A
SCHEMBL421658 0.79 BCHE (0.56) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP disclosed