SCHEMBL7035762

SCHEMBL7035762

CC1(C=O)COc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HTT P42858 1/20 0.31
DAO P14920 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL20594438 0.78 AKR1B1 (0.34)
SCHEMBL20975606 0.77 NOTUM (0.34) LMNAHTT
SCHEMBL7971051 0.76 OXTR (0.39) OXTRMAOAMAOB
Hydrochloric Acid SCHEMBL27471846 0.74 OXTR (0.38) OXTRLMNAMAOAMAOB
SCHEMBL236649 0.71 OXTR (0.42) OXTRSMN1; SMN2LMNACRHBPCRHR2
SCHEMBL1987212 0.71 HSD17B3 (0.36) LMNA
SCHEMBL14182625 0.70 OXTR (0.39) OXTRMAOAMAOB
SCHEMBL12203619 0.69 ADRA2A (0.38)
SCHEMBL28644317 0.68 OXTR (0.39) OXTRSMN1; SMN2LMNACRHBPCRHR2
SCHEMBL23042905 0.67

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
CN-1554651-A Benzopyrans and benzothiopyrans, pharmaceutical compositions containing them and process for their preparation Ĭ��ר���ɷ����޹�˾ 2004-12-15 CN claimed
US-6596758-B1 Treatment of dislipidaemias, atherosclerosis and diabetes, to pharmaceutical compositions comprising them and to processes allowing the preparation of these compounds. MERCK PATENT GMBH (DE) 2003-07-22 US claimed
EP-1140893-B1 BENZOPYRANS AND BENZOXEPINES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2003-03-05 EP claimed
EP-1140893-B1 BENZOPYRANS AND BENZOXEPINES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2003-03-05 EP disclosed