SCHEMBL8499272

SCHEMBL8499272

O=[C]/C=C/c1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
MAOA P21397 2/20 0.38
NFE2L2 Q16236 2/20 0.38
CYP19A1 P11511 1/20 0.38
MAOB P27338 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CHEK1 O14757 1/20 0.38
KMO O15229 1/20 0.37

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
SCHEMBL8499276 1.00 BCL2L1 (0.43) BCL2L1BADTRIM24TRIM33PLAAT3
SCHEMBL334477 0.82 HDAC2 (0.48) HDAC2MAOANFE2L2CYP19A1MAOB
SCHEMBL334478 0.82 HDAC2 (0.48) HDAC2MAOANFE2L2CYP19A1MAOB
SCHEMBL6834934 0.81 MAOB (0.50) HDAC2HDAC8MAOANFE2L2CYP19A1
SCHEMBL27745 0.81 MAOB (0.50) HDAC2HDAC8MAOANFE2L2CYP19A1
SCHEMBL27746 0.81 MAOB (0.50) HDAC2HDAC8MAOANFE2L2CYP19A1
SCHEMBL8904305 0.81 ENPP2 (0.54) BCL2L1BADTRIM24TRIM33PLAAT3
SCHEMBL8904307 0.81 ENPP2 (0.54) BCL2L1BADTRIM24TRIM33PLAAT3
SCHEMBL7535716 0.79 NFE2L2 (0.58) BCL2L1BADHDAC2HDAC8MAOA
SCHEMBL530889 0.79 NFE2L2 (0.58) BCL2L1BADHDAC2HDAC8MAOA

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
EP-0892805-A1 PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 1999-01-27 EP disclosed
WO-1997039002-A1 PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-23 WO disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed