SCHEMBL8423171

SCHEMBL8423171

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CC(OCC(=O)NCCCC[C@H](N)C(N)=O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.71
▸ CYP46A1 Q9Y6A2 2/20 0.65
▸ NPC1L1 Q9UHC9 5/20 0.60
▸ NR1H3 Q13133 5/20 0.57
▸ OSBP P22059 4/20 0.57
▸ USP2 O75604 2/20 0.57
▸ RORC P51449 2/20 0.57
▸ OSBP2 Q969R2 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ABCB1 P08183 1/20 0.57
▸ GBA1 P04062 2/20 0.54
▸ UGCG Q16739 2/20 0.54
▸ GBA2 Q9HCG7 2/20 0.54
▸ APP P05067 1/20 0.52
▸ CRYAB P02511 1/20 0.49
▸ HMGCR P04035 1/20 0.49
▸ ITGB3 P05106 1/20 0.49
▸ ITGAV P06756 1/20 0.49
▸ SREBF2 Q12772 1/20 0.49

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
SCHEMBL21413966 0.86 POLA1 (0.78) POLA1CYP46A1NPC1L1NR1H3OSBP
SCHEMBL17149877 0.86 POLA1 (0.84) POLA1CYP46A1NPC1L1NR1H3OSBP
SCHEMBL20104891 0.86 POLA1 (0.70) POLA1CYP46A1NPC1L1NR1H3OSBP
SCHEMBL16300435 0.86 POLA1 (0.70) POLA1CYP46A1NPC1L1NR1H3OSBP
SCHEMBL16300437 0.86 POLA1 (0.70) POLA1CYP46A1NPC1L1NR1H3OSBP
SCHEMBL13028361 0.86 POLA1 (0.70) POLA1CYP46A1NPC1L1NR1H3OSBP
SCHEMBL20104856 0.86 POLA1 (0.70) POLA1CYP46A1NPC1L1NR1H3OSBP
SCHEMBL13028383 0.86 POLA1 (0.70) POLA1CYP46A1NPC1L1NR1H3OSBP
SCHEMBL17149881 0.86 POLA1 (0.77) POLA1CYP46A1NPC1L1NR1H3OSBP
SCHEMBL1707118 0.85 POLA1 (0.76) POLA1CYP46A1NPC1L1NR1H3OSBP

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-5993823-A BETWEEN 10 AND 40 AMINO ACIDS AND AT LEAST ONE ANTIGENIC DETERMINANT, ALSO COMPRISING A CHAIN FROM PIMELAUTIDE, TRIMEXAUTIDE, HEXADECANOIC ACID, 2-AMINO-HEXADECANOIC ACID, STEROID GROUPS AND DERIVATIVES THEREOF INSTITUT PASTEUR DE LILLE (FR) 1999-11-30 — — US disclosed
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