SCHEMBL31057864

SCHEMBL31057864

CC(C)(C)OC(=O)N1CCN(CCOc2ccc(-c3nc(CC(=O)O)cs3)c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SHMT1 P34896 3/20 0.44
▸ GPR4 P46093 1/20 0.44
▸ EPHX2 P34913 2/20 0.42
▸ GPR119 Q8TDV5 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ SHMT2 P34897 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ RET P07949 1/20 0.39

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
SCHEMBL31057641 0.90 GPR4 (0.45) ACKR3KDM4EALDH1A1SHMT1GPR4
SCHEMBL31578942 0.86 ACKR3 (0.53) ACKR3KDM4EALDH1A1GPR4EPHX2
SCHEMBL31057929 0.86 SHMT1 (0.44) ACKR3SHMT1GPR4EPHX2GPR119
SCHEMBL31057939 0.79 SIGMAR1 (0.42) ACKR3KDM4EALDH1A1SHMT1GPR4
SCHEMBL31578664 0.78 ACKR3 (0.53) ACKR3KDM4EALDH1A1EPHX2HPGD
SCHEMBL31578853 0.77 ACKR3 (0.48) ACKR3ALDH1A1GPR4EPHX2GPR119
SCHEMBL30983899 0.77 KDM4E (0.53) KDM4EALDH1A1GPR4EPHX2GPR119
SCHEMBL30983866 0.75 KDM4E (0.51) KDM4EALDH1A1GPR4EPHX2GPR119
SCHEMBL31057911 0.75 KDM4E (0.55) KDM4EALDH1A1SHMT1SHMT2HPGD
SCHEMBL30696783 0.74 EPHX2 (0.56) KDM4EALDH1A1GPR4EPHX2GPR119

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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