SCHEMBL28088865

SCHEMBL28088865

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCCCCC(=O)O[C@H]5CC[C@@]6(C)C(=CC[C@H]7[C@@H]8CC[C@H]([C@H](C)CCCC(C)C)[C@@]8(C)CC[C@@H]76)C5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.89

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.75
CYP46A1 Q9Y6A2 2/20 0.73
USP2 O75604 2/20 0.69
LMNA P02545 1/20 0.69
ABCB1 P08183 1/20 0.69
OSBP P22059 1/20 0.69
RORC P51449 1/20 0.69
OSBP2 Q969R2 1/20 0.69
PLA2G2A P14555 1/20 0.65
NPC1 O15118 1/20 0.62
NR1H3 Q13133 2/20 0.61
GBA1 P04062 2/20 0.60
UGCG Q16739 2/20 0.60
GBA2 Q9HCG7 2/20 0.60
NPC1L1 Q9UHC9 1/20 0.60

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
SCHEMBL11497304 1.00 POLA1 (0.75) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL8839992 1.00 POLA1 (0.75) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL8608988 1.00 POLA1 (0.75) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL28273010 1.00 POLA1 (0.75) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL28404863 0.99 POLA1 (0.73) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL8425524 0.99 POLA1 (0.73) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL29356325 0.99 POLA1 (0.73) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL8961810 0.99 POLA1 (0.73) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL27101999 0.99 POLA1 (0.73) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL3954236 0.99 POLA1 (0.76) POLA1CYP46A1USP2LMNAABCB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859815-B The synthetic method of 7- ketone group cholesterine -9- carboxyl nonane and its fluorescent marker 大连大学 2019-07-16 CN claimed
CN-105859815-A 7-keto cholesteryl-9-carboxyl nonane and synthesis method of fluorescent marker thereof 大连大学 2016-08-17 CN claimed
CN-105859815-B The synthetic method of 7- ketone group cholesterine -9- carboxyl nonane and its fluorescent marker 大连大学 2019-07-16 CN disclosed
CN-105859815-A 7-keto cholesteryl-9-carboxyl nonane and synthesis method of fluorescent marker thereof 大连大学 2016-08-17 CN disclosed