SCHEMBL26472020

SCHEMBL26472020

C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)(C23)[C@]1(O)CCc1ccoc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SULT1E1 P49888 1/20 0.40
ERAP1 Q9NZ08 2/20 0.36
OPRK1 P41145 2/20 0.33
TTL Q8NG68 1/20 0.33
NR1H4 Q96RI1 2/20 0.32
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25A P30304 1/20 0.30
DUSP3 P51452 1/20 0.30

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
SCHEMBL17301626 0.88 ALDH1A1 (0.50) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL30525934 0.83 ALDH1A1 (0.47) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL4460072 0.83 ALDH1A1 (0.61) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL17305097 0.78 PLA2G2A (0.33) ALDH1A1MAPT
SCHEMBL26472022 0.77 ALDH1A1 (0.53) ALDH1A1MAPTUSP2CYP3A4HSD17B10
Marrubenol SCHEMBL4450048 0.77 ALDH1A1 (0.53) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL20035948 0.75 TTL (0.32) TTL
Rotundifuran SCHEMBL6233092 0.75 ALDH1A1 (0.56) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL19766903 0.75 ALDH1A1 (0.51) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL24827511 0.71

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