SCHEMBL26472087

SCHEMBL26472087

C[C@@H]1C[C@@H](O)[C@]2(C)[C@](C)(CCC[C@]2(C)C(=O)O)[C@@]1(O)CCc1ccoc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ERAP1 Q9NZ08 2/20 0.46
▸ USP2 O75604 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SULT1E1 P49888 1/20 0.34
▸ NR1H4 Q96RI1 2/20 0.34
▸ PTPN1 P18031 3/20 0.31
▸ CDC25A P30304 3/20 0.31
▸ DUSP3 P51452 3/20 0.31

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
SCHEMBL26472022 0.75 ALDH1A1 (0.53) ALDH1A1MAPTERAP1USP2CYP3A4
SCHEMBL19766903 0.69 ALDH1A1 (0.51) ALDH1A1MAPTERAP1USP2CYP3A4
Marrubenol SCHEMBL4450048 0.69 ALDH1A1 (0.53) ALDH1A1MAPTERAP1USP2CYP3A4
Rotundifuran SCHEMBL6233092 0.67 ALDH1A1 (0.56) ALDH1A1MAPTERAP1USP2CYP3A4
SCHEMBL26472020 0.67 ALDH1A1 (0.55) ALDH1A1MAPTERAP1USP2CYP3A4
SCHEMBL2784576 0.67 ALDH1A1 (0.55) ALDH1A1MAPTERAP1USP2CYP3A4
SCHEMBL13446726 0.66 ALDH1A1 (0.72) ALDH1A1MAPTERAP1USP2CYP3A4
SCHEMBL13446720 0.66 ALDH1A1 (0.72) ALDH1A1MAPTERAP1USP2CYP3A4
SCHEMBL13446725 0.65 ALDH1A1 (1.00) ALDH1A1MAPTERAP1USP2CYP3A4
SCHEMBL17301626 0.65 ALDH1A1 (0.50) ALDH1A1MAPTERAP1USP2CYP3A4

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-20230134934-A1 FEED ADDITIVE COMPOSITIONS AND METHODS PMI NUTRITION LLC (US) 2023-05-04 — — US disclosed
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