SCHEMBL31057922

SCHEMBL31057922

COc1ccc(-n2ccn(CC(=O)OC(C)(C)C)c2=O)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.38
▸ SYK P43405 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CHRM1 P11229 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
SCHEMBL31057789 0.79 RXFP1 (0.46) TP53GABRA2GABRB2POLBLMNA
SCHEMBL31057900 0.78 MAPT (0.41) TP53POLBLMNAMAPT
SCHEMBL20595872 0.70 FPR2 (0.42) FPR2SYKHDAC6KDM4EALDH1A1
SCHEMBL18171825 0.69 GRM2 (0.51) SYKGRM2LMNAMAPTKDM4E
SCHEMBL14876438 0.68 PARK7 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3593243 0.68 HDAC6 (0.40) FPR2HDAC6POLBKDM4EALDH1A1
SCHEMBL3584044 0.68 HDAC6 (0.43) FPR2HDAC6POLBKDM4EALDH1A1
SCHEMBL15876278 0.66 POLB (0.43) POLBALDH1A1
SCHEMBL14876538 0.66 CHRM5 (0.50) SYKGABRA1GABRG2GABRB3GABRA5
SCHEMBL3584205 0.66 GSK3A (0.46) HDAC6POLBKDM4EALDH1A1

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-2024173718-A2 HETEROBIFUNCTIONAL BINDERS OF KLHDC2 ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2024-08-22 — — WO disclosed
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