SCHEMBL14049657

SCHEMBL14049657

CC(=O)OC1CCC2(C)C(CCC3(C)C4CCC5(C(=O)O)CCCC5C4CCC32)C1(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ACHE P22303 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
HSD11B1 P28845 2/20 0.44
PTPN1 P18031 1/20 0.44
USP2 O75604 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.44

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
SCHEMBL12828973 1.00 HSD17B10 (0.49) HSD17B10TDP1ACHENR1H4POLB
SCHEMBL14083503 0.93 ACHE (0.49) HSD17B10TDP1ACHENR1H4HSD11B1
SCHEMBL22360569 0.90 ACHE (0.44) HSD17B10TDP1ACHEPOLBRECQL
SCHEMBL10459116 0.85 NR1H4 (0.43) HSD17B10TDP1NR1H4PTPN1GPBAR1
SCHEMBL22360570 0.84 ACHE (0.49) ACHEHSD11B1PTPN1GPBAR1
SCHEMBL19092745 0.83 SLC10A1 (0.51) HSD17B10TDP1ACHEHSD11B1PTPN1
SCHEMBL13781789 0.83 SLC10A1 (0.51) HSD17B10TDP1ACHEHSD11B1PTPN1
SCHEMBL14628350 0.83 NR1H4 (0.66) HSD17B10TDP1NR1H4POLBRECQL
SCHEMBL14049825 0.83 NR1H4 (0.66) HSD17B10TDP1NR1H4POLBRECQL
SCHEMBL22360709 0.83 PTPN2 (0.42) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924361-B1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LTD (IN) 2023-09-06 EP disclosed
WO-2021161206-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2021-08-19 WO disclosed
WO-2020165741-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2020-08-20 WO disclosed
WO-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 WO disclosed