SCHEMBL30582005

SCHEMBL30582005

COc1cc(C)c(CC(=O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CD274 Q9NZQ7 1/20 0.41
CXCL8 P10145 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL25376762 1.00 HSD17B10 (0.49) HSD17B10LMNAMAPK1HTTRAB9A
SCHEMBL30053264 0.86 HSD17B10 (0.51) HSD17B10LMNAMAPK1HTTRAB9A
SCHEMBL3409461 0.86 HSD17B10 (0.51) HSD17B10LMNAMAPK1HTTRAB9A
SCHEMBL11156552 0.86 HSD17B10 (0.54) HSD17B10LMNAGAAALDH1A1TSHR
SCHEMBL12904365 0.81 GAA (0.54) HSD17B10LMNAHTTRAB9AGAA
SCHEMBL2305820 0.81 HSD17B10 (0.57) HSD17B10LMNAMAPK1HTTRAB9A
SCHEMBL2126424 0.80 HSD17B10 (0.49) HSD17B10LMNAGAAALDH1A1TSHR
SCHEMBL27376987 0.79 PDE4A (0.47) LMNAMAPK1HTTRAB9ACD274
SCHEMBL16527104 0.79 HSD17B10 (0.59) HSD17B10GAAALDH1A1TSHRNFKB1
SCHEMBL1098529 0.79 HSD17B10 (0.47) HSD17B10LMNAMAPK1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482832-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2025-01-01 EP disclosed
CN-119053587-A 5- [7- (3, 4-Dihydro-1H-isoquinoline-2-carbonyl) -1,2,3,4 tetrahydroisoquinolin-6-yl ] -1H-pyrrole-3-carboxamide derivatives, pharmaceutical compositions containing same and use thereof as pro-apoptotic agents 法国施维雅药厂 2024-11-29 CN disclosed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO disclosed