SCHEMBL29934469

SCHEMBL29934469

C=C(C)C(C)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC(=O)CCCCCCCCCCCCCCC)CCC45CC35CCC12C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 2/20 0.47
▸ ACACA Q13085 2/20 0.47
▸ PTPN11 Q06124 1/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ PTGS2 P35354 2/20 0.40
▸ HSD11B1 P28845 6/20 0.40
▸ HSD11B2 P80365 1/20 0.40
▸ CETP P11597 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL29934458 0.90 HSD11B1 (0.49) ACLYACACAPTPN11PTPN1PTGS2
SCHEMBL30827593 0.81 HSD11B1 (0.42) ACLYACACAPTPN11PTPN1PTGS2
SCHEMBL30812411 0.80 ACLY (0.52) ACLYACACAPTPN11PTGS2HSD11B1
SCHEMBL13420433 0.78 HSD11B1 (0.54) ACLYACACAPTPN11PTPN1PTGS2
SCHEMBL13420513 0.78 HSD11B1 (0.54) ACLYACACAPTPN11PTPN1PTGS2
SCHEMBL14046876 0.78 HSD11B1 (0.54) ACLYACACAPTPN11PTPN1PTGS2
SCHEMBL13420642 0.78 HSD11B1 (0.54) ACLYACACAPTPN11PTPN1PTGS2
SCHEMBL13420201 0.78 HSD11B1 (0.54) ACLYACACAPTPN11PTPN1PTGS2
Cyclolaudenol (24S) SCHEMBL3191608 0.77 ACLY (0.67) ACLYACACAPTPN11PTGS2HSD11B1
Cyclolaudenol (24S) SCHEMBL679913 0.77 ACLY (0.67) ACLYACACAPTPN11PTGS2HSD11B1

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
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 — — US disclosed
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