SCHEMBL21947719

SCHEMBL21947719

CCN1CCN(CC(=O)N2CCC(C)(C(C)C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.41
HSD11B1 P28845 4/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL24927397 0.84 S1PR1 (0.39) GAAMEN1KMT2A
SCHEMBL23594060 0.81 GAA (0.36) ALDH1A1GAATSHRALOX15HSD17B10
SCHEMBL23594066 0.79 GAA (0.34) ALDH1A1GAATSHRALOX15HSD17B10
SCHEMBL17173050 0.78 GAA (0.44) ALDH1A1GAATSHRALOX15HSD17B10
SCHEMBL8315958 0.77 KDM4E (0.34) GAATSHRKDM4E
SCHEMBL7904692 0.76 GAA (0.63) ALDH1A1GAAHSD11B1TSHRALOX15
SCHEMBL3767691 0.76 GAA (0.48) ALDH1A1GAAHSD11B1TSHRALOX15
SCHEMBL13403911 0.75 CPN1 (0.41) ALDH1A1NPSR1
SCHEMBL14452839 0.74 GAA (0.73) ALDH1A1GAAHSD11B1TSHRALOX15
SCHEMBL12359194 0.73 GAA (0.77) ALDH1A1GAAHSD11B1TSHRALOX15

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
WO-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed