SCHEMBL29068283

SCHEMBL29068283

COc1ccc(CC(=O)Nc2cccc(O)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 14/20 1.00
SMN1; SMN2 Q16637 3/20 0.70
USP2 O75604 1/20 0.67
ALDH1A1 P00352 2/20 0.63
MAPT P10636 1/20 0.63
RAB9A P51151 1/20 0.63
LMNA P02545 1/20 0.62

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
SCHEMBL8705939 0.86 USP2 (0.80) NLRP3SMN1; SMN2USP2ALDH1A1RAB9A
SCHEMBL5107742 0.86 NLRP3 (0.76) NLRP3SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL15652476 0.85 NLRP3 (0.74) NLRP3SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL2456604 0.85 NLRP3 (0.74) NLRP3SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL9370863 0.84 ALDH1A1 (0.88) NLRP3SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL24439829 0.84 NLRP3 (0.71) NLRP3SMN1; SMN2USP2
SCHEMBL29520161 0.82 NLRP3 (0.75) NLRP3SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL4423342 0.82 NLRP3 (0.75) NLRP3SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL30034264 0.82 SMN1; SMN2 (0.88) NLRP3SMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL7242115 0.82 NLRP3 (0.69) NLRP3SMN1; SMN2USP2ALDH1A1MAPT

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
CN-116554050-A Amide phenol derivative and application thereof 四川大学 2023-08-08 CN disclosed