SCHEMBL23551428

SCHEMBL23551428

CCCC(Nc1ccc(C2CCC(CC(=O)O)CC2)cc1)C(=O)NC=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 17/20 0.40
▸ FAAH O00519 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ SOAT1 P35610 1/20 0.39
▸ DGAT2 Q96PD7 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL23551789 0.84 CCR1 (0.41) ALDH1A1
SCHEMBL23551470 0.83 CCR1 (0.43) MAPT
SCHEMBL23551374 0.76 NAMPT (0.37) —
SCHEMBL3297347 0.67 IDO1 (0.60) DGAT1SOAT1IDO1
SCHEMBL3297351 0.67 IDO1 (0.60) DGAT1SOAT1IDO1
SCHEMBL462294 0.67 ESR2 (0.62) DGAT1FAAHCHRM2SOAT1DGAT2
SCHEMBL2259544 0.67 ESR2 (0.62) DGAT1FAAHCHRM2SOAT1DGAT2
SCHEMBL18763873 0.67 ESR2 (0.62) DGAT1FAAHCHRM2SOAT1DGAT2
SCHEMBL577535 0.67 CYP2C9 (0.51) DGAT1FAAHCHRM2SOAT1DGAT2
SCHEMBL3538810 0.67 IDO1 (0.57) DGAT1FAAHCHRM2SOAT1DGAT2

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-2021127561-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 THERAPEUTICS, INC. (US) 2021-06-24 — — WO disclosed
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