SCHEMBL8840044

SCHEMBL8840044

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CC(OC(=O)/C=C\C(=O)OC5CC[C@@]6(C)C(=CCC7C6CC[C@@]6(C)C7CC[C@@H]6[C@H](C)CCCC(C)C)C5)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.76
▸ CYP46A1 Q9Y6A2 2/20 0.74
▸ OSBP P22059 3/20 0.70
▸ USP2 O75604 2/20 0.70
▸ RORC P51449 2/20 0.70
▸ LMNA P02545 1/20 0.70
▸ ABCB1 P08183 1/20 0.70
▸ OSBP2 Q969R2 1/20 0.70
▸ NR1H3 Q13133 4/20 0.62
▸ NPC1L1 Q9UHC9 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ GRIN1 Q05586 1/20 0.60
▸ GRIN2A Q12879 1/20 0.60
▸ GBA1 P04062 2/20 0.59
▸ UGCG Q16739 2/20 0.59
▸ GBA2 Q9HCG7 2/20 0.59
▸ EPHA2 P29317 1/20 0.58

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
SCHEMBL5327345 1.00 POLA1 (0.76) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL16425693 0.97 POLA1 (0.74) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL10379193 0.97 POLA1 (0.74) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL10379191 0.97 POLA1 (0.74) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL10379190 0.97 POLA1 (0.74) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL5327347 0.97 POLA1 (0.74) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL19598930 0.96 POLA1 (0.72) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL3213813 0.96 POLA1 (0.72) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL3213821 0.96 POLA1 (0.72) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL27833162 0.96 POLA1 (0.72) POLA1CYP46A1OSBPUSP2RORC

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-5593691-A DIESTERS AND UNSATURATED DIESTERS WITH COSMETICS, DRUGS AND TENSIDES MARIGEN S.A. (CH) 1997-01-14 — — US disclosed
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