SCHEMBL31378010

SCHEMBL31378010

CCCCOC(=O)N1CC(C)(C(=O)O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
NOTUM Q6P988 3/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL28743615 0.83 BCHE (0.42) BCHENOTUMUSP2TSHRTDP1
SCHEMBL31378004 0.79 NOTUM (0.54) NOTUMUSP2MEN1KMT2AALDH1A1
SCHEMBL30196037 0.78 KDM1A (0.53) BCHENOTUM
SCHEMBL20505758 0.78 KDM1A (0.53) BCHENOTUM
SCHEMBL8127807 0.78 BCHE (0.48) BCHENOTUMUSP2TSHRTDP1
SCHEMBL13091978 0.77 NOTUM (0.50) BCHENOTUMOPRD1OPRK1
SCHEMBL8015593 0.77 BCHE (0.47) BCHENOTUMTSHRTDP1L3MBTL1
SCHEMBL8003261 0.74 BCHE (0.47) BCHENOTUMTSHRTDP1L3MBTL1
SCHEMBL1955620 0.73 BCHE (0.55) BCHENOTUMTSHRTDP1L3MBTL1
SCHEMBL5797625 0.71 RAB9A (0.63) BCHENOTUMTSHRL3MBTL1MEN1

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-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed