SCHEMBL29974028

SCHEMBL29974028

C=C(Cc1nc(Cc2cccc(CCCC)c2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ APLNR P35414 2/20 0.36
▸ PPARG P37231 4/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL23578283 1.00 MEN1 (0.39) MEN1KMT2ALMNAAPLNRPPARG
SCHEMBL25801788 0.90 ALDH1A1 (0.36) APLNRPPARGTSHRALDH1A1MAPT
SCHEMBL25801811 0.87 ALDH1A1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL29844170 0.86 LMNA (0.40) MEN1KMT2ALMNAAPLNRPPARG
SCHEMBL23578099 0.86 LMNA (0.40) MEN1KMT2ALMNAAPLNRPPARG
SCHEMBL23588068 0.85 SPHK2 (0.42) KMT2ALMNATSHRMAPK1TDP1
SCHEMBL25801971 0.84 MAPT (0.35) MEN1KMT2ATSHRKDM4EL3MBTL1
SCHEMBL25801910 0.82 MAPT (0.41) LMNAPPARGPPARAKDM4EALDH1A1
SCHEMBL23578293 0.82 TSHR (0.38) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL29973191 0.82 TSHR (0.38) MEN1KMT2ALMNATSHRMAPK1

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
EP-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 — — EP disclosed
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