SCHEMBL29934458

SCHEMBL29934458

C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 6/20 0.49
▸ ACLY P53396 2/20 0.46
▸ ACACA Q13085 2/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ PTPN1 P18031 1/20 0.41
▸ HSD11B2 P80365 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ CETP P11597 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ ESR2 Q92731 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL30827593 0.90 HSD11B1 (0.42) HSD11B1ACLYACACAMEN1KMT2A
SCHEMBL29934469 0.90 ACLY (0.47) HSD11B1ACLYACACAPTPN11PTPN1
SCHEMBL14046876 0.87 HSD11B1 (0.54) HSD11B1ACLYACACAMEN1KMT2A
SCHEMBL13420433 0.87 HSD11B1 (0.54) HSD11B1ACLYACACAMEN1KMT2A
SCHEMBL13420513 0.87 HSD11B1 (0.54) HSD11B1ACLYACACAMEN1KMT2A
SCHEMBL12152345 0.78 ACLY (0.63) HSD11B1ACLYACACAMEN1KMT2A
SCHEMBL982765 0.78 ACLY (0.63) HSD11B1ACLYACACAMEN1KMT2A
SCHEMBL14520017 0.78 ACLY (0.63) HSD11B1ACLYACACAMEN1KMT2A
SCHEMBL14047057 0.78 ACLY (0.63) HSD11B1ACLYACACAMEN1KMT2A
SCHEMBL1878720 0.78 ACLY (0.63) HSD11B1ACLYACACAMEN1KMT2A

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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