SCHEMBL23422973

SCHEMBL23422973

CCC(=O)Cc1ccc(C(=O)OC)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35

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
SCHEMBL9089861 0.85 MAPK1 (0.44) MAPTMAPK1TP53KDM4EPTGER4
SCHEMBL16682715 0.80 MAPT (0.43) MAPTMAPK1TP53KDM4EPTGER4
SCHEMBL1161278 0.73 MAPT (0.48) MAPTMAPK1TP53KDM4EPTGER4
SCHEMBL31172637 0.72 KLKB1 (0.46) MAPTMAPK1TP53KDM4EPTGER4
SCHEMBL13933139 0.72 CYP1A2 (0.62) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL6509581 0.72 KDM4E (0.50) MAPK1KDM4EPTGER4ALDH1A1CYP1A2
SCHEMBL16372000 0.72 LCK (0.47) MAPTMAPK1TP53KDM4EPTGER4
SCHEMBL29549633 0.72 MAPT (0.55) MAPTMAPK1TP53KDM4EALDH1A1
SCHEMBL23554282 0.72 MAPT (0.55) MAPTMAPK1TP53KDM4EALDH1A1
SCHEMBL31273956 0.71 PTGER4 (0.43) MAPTMAPK1TP53KDM4EPTGER4

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-2021102161-A1 METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE ANGION BIOMEDICA CORP. (US) 2021-05-27 — — WO disclosed
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