SCHEMBL24712401

SCHEMBL24712401

C=C(CN1CCCCC1)C(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ALDH1A1 P00352 8/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
EGFR P00533 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 4/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 1/20 0.34
RAD52 P43351 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
SCHEMBL21741224 0.81 KDM4E (0.50) ALDH1A1HTTSMN1; SMN2TDP1EGFR
SCHEMBL17773342 0.79 ALDH1A1 (0.42) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL11269504 0.79 ALDH1A1 (0.53) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL17773341 0.77 ALDH1A1 (0.40) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL13719453 0.77 GAA (0.50) GAAALDH1A1HTTSMN1; SMN2EGFR
SCHEMBL24331648 0.77 ALDH1A1 (0.50) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL2038297 0.76 GAA (0.41) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL29641984 0.75 GAA (0.48) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL20314964 0.74 GAA (0.44) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL17777792 0.74 ALDH1A1 (0.46) GAAALDH1A1HTTSMN1; SMN2TDP1

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-2022232195-A2 COVALENT APTAMERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-11-03 WO disclosed