SCHEMBL25075429

SCHEMBL25075429

CC1CCN(CCN2CCC(C(=O)N3CCC(C(C)C)CC3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
USP2 O75604 1/20 0.52
KDM4E B2RXH2 4/20 0.44
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
HSD11B1 P28845 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL25074975 0.94 HSD11B1 (0.46) ALDH1A1USP2KDM4EHTTHSD11B1
SCHEMBL26295698 0.88 ALDH1A1 (0.48) ALDH1A1USP2KDM4EHSD11B1SMN1; SMN2
SCHEMBL26295683 0.86 HRH3 (0.50) ALDH1A1USP2KDM4EHSD11B1SMN1; SMN2
SCHEMBL17540491 0.84 HPGD (0.47) ALDH1A1POLBHTTHSD11B1KMT2A
SCHEMBL25565704 0.82 CARM1 (0.50) POLBHTT
SCHEMBL26295620 0.82 SMN1; SMN2 (0.53) ALDH1A1KDM4EPOLBHSD11B1KMT2A
SCHEMBL22874779 0.81 HTT (0.50) ALDH1A1POLBHTTHSD11B1KMT2A
SCHEMBL25075431 0.81 HRH3 (0.48) ALDH1A1USP2HSD11B1SMN1; SMN2L3MBTL1
SCHEMBL26501262 0.81 HRH2 (0.44) ALDH1A1USP2HSD11B1SMN1; SMN2
SCHEMBL10119952 0.81 HPGD (0.54) ALDH1A1POLBHTTHSD11B1KMT2A

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-2023023537-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. (US) 2023-02-23 WO disclosed