SCHEMBL24313100

SCHEMBL24313100

CC(I)NC(=O)CC(C)(C)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.53
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 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
SCHEMBL24313491 0.84 PIK3CD (0.36) PIK3CDMEN1KMT2A
SCHEMBL21516843 0.82 PIK3CD (0.57) PIK3CDMEN1KMT2AHMGCRCHRM1
SCHEMBL20904149 0.78 PIK3CD (0.32) PIK3CD
SCHEMBL25982395 0.71 METAP2 (0.32)
SCHEMBL17199436 0.70 PIK3CD (0.53) PIK3CDMEN1KMT2AHMGCRCHRM1
SCHEMBL31445676 0.69 PIK3CD (0.44) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL4282052 0.69
SCHEMBL158577 0.69
SCHEMBL24259748 0.68 MME (0.33)
SCHEMBL21536797 0.67 FAAH (0.46) MEN1KMT2A

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
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed