SCHEMBL7966848

SCHEMBL7966848

COCCOCOc1c(C#N)sc(C(Oc2cccc3c2C(=O)NC3=O)(C(=O)O)C(c2ccccc2)c2ccccc2)c1OCOCCOC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.30

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
SCHEMBL9064587 0.82 GLS (0.31)
SCHEMBL7960015 0.79 GPR88 (0.32)
SCHEMBL9416166 0.76 CASP3 (0.31) CASP3
SCHEMBL7960483 0.69 GLS (0.31)
SCHEMBL8119171 0.67 CASP3 (0.36) CASP3
SCHEMBL7964208 0.67 RARG (0.36) CASP3
SCHEMBL7967343 0.67 FABP4 (0.38) CASP3
SCHEMBL8132547 0.66 CYP1A2 (0.34) CASP3
SCHEMBL7959836 0.66 CASP3 (0.34) CASP3
SCHEMBL8132902 0.66 AR (0.34) CASP3

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-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed