SCHEMBL29934569

SCHEMBL29934569

CC(C)C(=O)CCC(C)C1CCC2(C)C3CCC4C(C)C(=O)CCC45CC35CCC12C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.51
▸ ACLY P53396 2/20 0.44
▸ ACACA Q13085 2/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HSD11B2 P80365 1/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ESR1 P03372 1/20 0.33

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
Cycloeucalenone SCHEMBL29510991 0.90 HSD11B1 (0.61) HSD11B1ACLYACACAPTPN11NR1H3
SCHEMBL29935051 0.85 HSD11B1 (0.47) HSD11B1ACLYACACAPTPN11PTGS1
SCHEMBL5824245 0.84 HSD11B1 (0.69) HSD11B1ACLYACACAPTPN11PTGS1
SCHEMBL13642408 0.80 ACLY (0.56) HSD11B1ACLYACACAPTPN11PTGS1
SCHEMBL13642525 0.80 ACLY (0.56) HSD11B1ACLYACACAPTPN11PTGS1
SCHEMBL13642677 0.80 ACLY (0.56) HSD11B1ACLYACACAPTPN11PTGS1
SCHEMBL13642725 0.80 ACLY (0.56) HSD11B1ACLYACACAPTPN11PTGS1
SCHEMBL13642558 0.80 ACLY (0.56) HSD11B1ACLYACACAPTPN11PTGS1
SCHEMBL13420260 0.78 ACLY (0.69) HSD11B1ACLYACACAPTPN11PTGS1
SCHEMBL13420519 0.74 ACLY (0.54) HSD11B1ACLYACACAPTPN11PTGS1

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
WO-2023011591-A1 PROBIOTIC COMPOSITIONS FOR TREATING AND PREVENTING COLORECTAL CANCER THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-02-09 — — WO disclosed
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 — — US disclosed
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