SCHEMBL18530433

SCHEMBL18530433

CC(C)(C)OC(=O)NCCc1ccc(N2CCN(C(=O)CCOCC(=O)O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.52
▸ NAMPT P43490 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPT P10636 5/20 0.44
▸ HTT P42858 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ME2 P23368 2/20 0.43
▸ ME1 P48163 2/20 0.43
▸ ME3 Q16798 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ GFER P55789 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL21457821 0.83 NAMPT (0.53) SIGMAR1NAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL18530398 0.81 MAPT (0.41) SIGMAR1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL18530448 0.81 MAPT (0.41) SIGMAR1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL23291239 0.79 NAMPT (0.55) SIGMAR1NAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL3836217 0.79 NAMPT (0.54) SIGMAR1NAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL3706363 0.77 NAMPT (0.52) SIGMAR1NAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL19211125 0.77 SIGMAR1 (0.52) SIGMAR1NAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL22957300 0.76 NAMPT (0.51) NAMPTCA1CA2
SCHEMBL19211083 0.74 SMN1; SMN2 (0.52) SIGMAR1NAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL18591875 0.74 MAPT (0.49) SMN1; SMN2MEN1KMT2AMAPTHTT

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
EP-3337476-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2018-06-27 — — EP disclosed
WO-2017030814-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2017-02-23 — — WO disclosed
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