SCHEMBL31329367

SCHEMBL31329367

COc1ccc(C[C@H](N)C(=O)O)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.52
USP2 O75604 2/20 0.47
POLB P06746 2/20 0.47
RGS12 O14924 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP1 P29466 1/20 0.47
BRCA1 P38398 1/20 0.47
THPO P40225 1/20 0.47
CASP7 P55210 1/20 0.47
GNAI1 P63096 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2898766 1.00 KIF11 (0.52) KIF11USP2POLBRGS12CYP3A4
Hydrochloric Acid SCHEMBL6465670 0.87 KIF11 (0.48) KIF11USP2POLBRGS12CYP3A4
SCHEMBL20397868 0.87 KIF11 (0.43) KIF11POLBALDH1A1
SCHEMBL22445010 0.87 KIF11 (0.51) KIF11POLB
Hydrochloric Acid SCHEMBL6465672 0.87 KIF11 (0.48) KIF11USP2POLBRGS12CYP3A4
SCHEMBL7302384 0.84 HTT (0.46) KIF11USP2POLBRGS12CYP3A4
SCHEMBL29519833 0.84 HSD17B10 (0.49) USP2POLBRGS12CYP3A4CYP2C9
SCHEMBL13957558 0.84 HSD17B10 (0.45) KIF11USP2POLBRGS12CYP3A4
SCHEMBL21029380 0.82 KIF11 (0.42) KIF11POLB
SCHEMBL1571535 0.82 PCNA (0.51) USP2RGS12CYP3A4CYP2C9PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720087-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR Zealand Pharma A/S (DK) 2026-04-08 EP disclosed
WO-2024246269-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR ZEALAND PHARMA A/S (DK) 2024-12-05 WO disclosed