SCHEMBL29187809

SCHEMBL29187809

CC(=O)N1CCCc2c(C)ccc(O)c21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 11/20 0.46
▸ PKM P14618 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 1/20 0.34

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
SCHEMBL29187803 0.83 ALDH1A1 (0.35) NOTUMMAOAMAOBL3MBTL1ALDH1A1
SCHEMBL29187823 0.80 NOTUM (0.47) NOTUMMAOBTP53L3MBTL1ALDH1A1
SCHEMBL19301917 0.78 NOTUM (0.43) NOTUMTP53
SCHEMBL14283933 0.76 NOTUM (0.40) NOTUMPKMTDP1TP53ALDH1A1
SCHEMBL17544697 0.74 NOTUM (0.59) NOTUML3MBTL1ALDH1A1MAPT
SCHEMBL20939323 0.74 NOTUM (0.56) NOTUMMAPT
SCHEMBL22312090 0.72 NOTUM (0.84) NOTUMPKMALDH1A1MAPT
SCHEMBL14283935 0.72 NOTUM (0.38) NOTUMPKMTDP1TP53ALDH1A1
SCHEMBL11854947 0.72 NOTUM (0.49) NOTUMPKMTP53ALDH1A1PDK1
SCHEMBL14591324 0.71 NOTUM (0.59) NOTUMPKML3MBTL1ALDH1A1MAPT

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-117645562-A Ligand for copper catalytic coupling reaction and application thereof 江西德璟生物科技有限公司 2024-03-05 — — CN disclosed
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