SCHEMBL31056282

SCHEMBL31056282

COc1c(Br)cc(C(=O)O)c(O)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
TPMT P51580 1/20 0.50
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
AKR1C4 P17516 2/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPR35 Q9HC97 1/20 0.43
TSHR P16473 1/20 0.41
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.40
PTPN2 P17706 2/20 0.40
PTPN6 P29350 2/20 0.40
NCOA1 Q15788 1/20 0.40

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
SCHEMBL31056880 0.85 KDM4E (0.51) HSD17B10TPMTMAPTTSHRAPOBEC3A
SCHEMBL17201011 0.80 HSD17B10 (0.56) HSD17B10TPMTLCKFYNAKR1C4
SCHEMBL17201182 0.80 HSD17B10 (0.56) HSD17B10TPMTLCKFYNAKR1C4
SCHEMBL2970067 0.77 HSD17B10 (0.70) HSD17B10TPMTLCKFYNMAPT
SCHEMBL31336087 0.77 HSD17B10 (0.56) HSD17B10TPMTLCKFYNMAPT
SCHEMBL28362779 0.76 HSD17B10 (0.51) HSD17B10TPMTLCKFYNAKR1C4
SCHEMBL16108030 0.76 HSD17B10 (0.50) HSD17B10TPMTLCKFYNAKR1C3
SCHEMBL15845984 0.75 HSD17B10 (0.50) HSD17B10TPMTLCKFYNGPR35
SCHEMBL27851655 0.75 HSD17B10 (0.62) HSD17B10TPMTLCKFYNMAPT
SCHEMBL28799138 0.74 HSD17B10 (0.61) HSD17B10TPMTLCKFYNMAPT

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed