SCHEMBL29545787

SCHEMBL29545787

O=C1CCC(N2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
DDB1 Q16531 2/20 0.47
CRBN Q96SW2 2/20 0.47
IKZF3 Q9UKT9 2/20 0.47
CYP1A2 P05177 2/20 0.47
CHRM2 P08172 1/20 0.47
OPRM1 P35372 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NOTUM Q6P988 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.40
MPO P05164 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MC4R P32245 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL1178289 1.00 ALDH1A1 (0.47) ALDH1A1TSHRDDB1CRBNIKZF3
SCHEMBL1178291 1.00 ALDH1A1 (0.47) ALDH1A1TSHRDDB1CRBNIKZF3
SCHEMBL17362471 0.89 ALDH1A1 (0.45) ALDH1A1TSHRDDB1CRBNIKZF3
SCHEMBL17362473 0.89 ALDH1A1 (0.45) ALDH1A1TSHRDDB1CRBNIKZF3
SCHEMBL29799384 0.89 ALDH1A1 (0.45) ALDH1A1TSHRDDB1CRBNIKZF3
SCHEMBL633891 0.89 ALDH1A1 (0.50) ALDH1A1TSHRDDB1CRBNIKZF3
SCHEMBL20877507 0.84 ALDH1A1 (0.44) ALDH1A1TSHRDDB1CRBNIKZF3
SCHEMBL30693382 0.84 ALDH1A1 (0.44) ALDH1A1TSHRDDB1CRBNIKZF3
SCHEMBL8477142 0.82 ALDH1A1 (0.49) ALDH1A1TSHRDDB1CRBNIKZF3
SCHEMBL2665681 0.80 L3MBTL1 (0.54) ALDH1A1TSHRDDB1CRBNIKZF3

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-4048677-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME Arkuda Therapeutics (US) 2022-08-31 EP disclosed
CN-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 CN disclosed