SCHEMBL6002995

SCHEMBL6002995

CCc1cccc(OCO)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SOD1 P00441 1/20 0.51
POLB P06746 2/20 0.51
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 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
SCHEMBL515973 0.85 POLB (0.59) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL15295402 0.83 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL131598 0.83 TP53 (0.59) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL31061915 0.83 TP53 (0.59) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL13849636 0.83 POLB (0.62) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL7750604 0.82 PPARA (0.60) CYP4F2CYP4A11PPARGPPARA
Ammonia Solution, Strong SCHEMBL27668328 0.82 TP53 (0.57) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL933459 0.80 PLA2G4B (0.48) SMN1; SMN2MAPK1L3MBTL1TSHRTDP1
SCHEMBL716796 0.80 TSHR (0.47) ALDH1A1SMN1; SMN2MAPK1TSHRCYP4F2
SCHEMBL59488 0.80 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed