SCHEMBL24590728

SCHEMBL24590728

CC(C)(C)c1cccc(OCC(=O)Cc2ccc(O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ NR4A3 Q92570 1/20 0.48
▸ SOD1 P00441 1/20 0.46
▸ FFAR1 O14842 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ ESRRB O95718 1/20 0.41
▸ ESRRG P62508 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL29754911 0.81 KMT2A (0.53) FFAR1KDM4EHTTALDH1A1GAA
SCHEMBL27090181 0.81 KMT2A (0.53) FFAR1KDM4EHTTALDH1A1GAA
SCHEMBL29754989 0.78 FFAR1 (0.64) FFAR1MAPTLMNAHTTALDH1A1
SCHEMBL27090197 0.78 FFAR1 (0.64) FFAR1MAPTLMNAHTTALDH1A1
SCHEMBL30831879 0.77 SMN1; SMN2 (0.65) NR4A1NR4A2NR4A3SOD1FFAR1
SCHEMBL1986392 0.77 SMN1; SMN2 (0.65) NR4A1NR4A2NR4A3SOD1FFAR1
SCHEMBL18120698 0.77 SOD1 (0.51) NR4A1NR4A2NR4A3SOD1FFAR1
SCHEMBL14065575 0.76 KDM4E (0.51) NR4A1NR4A2NR4A3SOD1FFAR1
SCHEMBL12993061 0.75 ALDH1A1 (0.51) SOD1FFAR1KDM4ELMNAALDH1A1
SCHEMBL28163129 0.74 ESRRG (0.44) NR4A1NR4A2NR4A3SOD1TRPV1

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-2022135617-A1 NOVEL NAMPT ENZYME AGONIST AND PREPARATION AND USE THEREOF 清华大学 2022-06-30 — — WO disclosed
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