SCHEMBL29844170

SCHEMBL29844170

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ APLNR P35414 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ PPARG P37231 2/20 0.36

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
SCHEMBL23578099 1.00 LMNA (0.40) LMNATSHRMAPK1TDP1MEN1
SCHEMBL23588038 0.89 ALDH1A1 (0.43) LMNATSHRMAPK1TDP1MEN1
SCHEMBL29974028 0.86 MEN1 (0.39) LMNATSHRMAPK1TDP1MEN1
SCHEMBL23578283 0.86 MEN1 (0.39) LMNATSHRMAPK1TDP1MEN1
SCHEMBL25299009 0.85 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPT
SCHEMBL29843966 0.83 L3MBTL1 (0.46) LMNATSHRMAPK1TDP1MEN1
SCHEMBL25297027 0.83 L3MBTL1 (0.46) LMNATSHRMAPK1TDP1MEN1
SCHEMBL23588168 0.82 MAPT (0.40) TSHRMAPK1TDP1KMT2AALDH1A1
SCHEMBL23588331 0.80 ALDH1A1 (0.43) LMNATSHRMAPK1TDP1MEN1
SCHEMBL23578251 0.79 MAPT (0.45) LMNATSHRALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 — — CN claimed
EP-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 — — EP disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 — — CN disclosed
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