SCHEMBL29843966

SCHEMBL29843966

C=C(Cc1nc(-c2cccc(CCCC)c2)no1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SPHK2 Q9NRA0 5/20 0.46
▸ SPHK1 Q9NYA1 5/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.43

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
SCHEMBL25297027 1.00 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL23578423 0.86 SPHK1 (0.54) L3MBTL1NPC1RAB9ATDP1SPHK2
SCHEMBL23588068 0.86 SPHK2 (0.42) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL23588257 0.83 SPHK1 (0.58) L3MBTL1NPC1RAB9ATDP1SPHK2
SCHEMBL29844170 0.83 LMNA (0.40) L3MBTL1MAPK1TDP1KMT2ATSHR
SCHEMBL23578099 0.83 LMNA (0.40) L3MBTL1MAPK1TDP1KMT2ATSHR
SCHEMBL2094536 0.77 PPARA (0.55) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL23894440 0.77 L3MBTL1 (0.54) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL23578433 0.76 ACACB (0.57) L3MBTL1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL26691057 0.76 TSHR (0.52) L3MBTL1NPC1RAB9AMAPK1TDP1

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-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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