SCHEMBL9458804

SCHEMBL9458804

CC1Cc2c(C(C)C3C(=O)OC(C)(C)OC3=O)c(-c3ccccc3)c(-c3ccccc3)n2C1C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.32

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
SCHEMBL9535814 0.78 KMT2A (0.38) MDM2
SCHEMBL17070911 0.66 ALDH1A1 (0.40) —
SCHEMBL10261542 0.55 ESR1 (0.39) —
SCHEMBL623278 0.55 PTPN1 (0.39) —
SCHEMBL3073195 0.54 ALDH1A1 (0.36) —
SCHEMBL3073191 0.54 ALDH1A1 (0.36) —
SCHEMBL2804521 0.54 ALDH1A1 (0.37) —
SCHEMBL1713659 0.53 MAPT (0.43) —
SCHEMBL3078902 0.51 ALDH1A1 (0.36) —
SCHEMBL3080913 0.51 ALDH1A1 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260451-A Enzyme inhibitors MERCKLE GMBH (DE) 1993-11-09 — — US disclosed
Send feedback