SCHEMBL7950845

SCHEMBL7950845

C=CCc1cccc(C(C)=O)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGER4 P35408 3/20 0.43
PTGER3 P43115 3/20 0.43
PTGER2 P43116 3/20 0.43
PTGER1 P34995 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PTPN1 P18031 1/20 0.40

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
SCHEMBL5879447 0.83 BCHE (0.47) MAPTTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL14622099 0.80 KDM4E (0.44) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL7805020 0.79 PTGER4 (0.53) MAPTTDP1L3MBTL1PTGER4PTGER3
SCHEMBL17694446 0.79 MEN1 (0.50) MAOBMAPTTDP1L3MBTL1CYP2C9
SCHEMBL8980650 0.79 MAOB (0.54) MAOBMAPTTDP1L3MBTL1CYP2C9
SCHEMBL8489879 0.77 MAPT (0.57) MAOBMAPTTDP1L3MBTL1CYP2C9
SCHEMBL4226079 0.77 BCHE (0.43) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL4234474 0.77 BCHE (0.65) L3MBTL1KDM4EBCHE
SCHEMBL3251271 0.76 CYP3A4 (0.47) MAPTCYP2C19SMN1; SMN2KDM4EALDH1A1
SCHEMBL4963194 0.76 BCHE (0.43) MAOBMAPTTDP1L3MBTL1CYP2C9

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
US-6218427-B1 AS ENDOTHELIN RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2001-04-17 US disclosed
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 EP disclosed