SCHEMBL20143914

SCHEMBL20143914

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(O)O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.61
▸ CYP46A1 Q9Y6A2 2/20 0.60
▸ USP2 O75604 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ ABCB1 P08183 1/20 0.56
▸ OSBP P22059 1/20 0.56
▸ RORC P51449 1/20 0.56
▸ OSBP2 Q969R2 1/20 0.56
▸ NR1H3 Q13133 4/20 0.52
▸ PLA2G2A P14555 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ GBA1 P04062 2/20 0.51
▸ UGCG Q16739 2/20 0.51
▸ GBA2 Q9HCG7 2/20 0.51
▸ NPC1L1 Q9UHC9 3/20 0.50
▸ EPHA2 P29317 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
SCHEMBL12476212 0.93 POLA1 (0.65) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL28619998 0.93 POLA1 (0.65) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL12476595 0.93 POLA1 (0.65) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL12476376 0.93 POLA1 (0.65) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL12476374 0.93 POLA1 (0.65) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL12476591 0.93 POLA1 (0.65) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL12476379 0.93 POLA1 (0.65) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL12476593 0.93 POLA1 (0.65) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL15160238 0.93 POLA1 (0.60) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL15160094 0.93 POLA1 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968647-B2 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE INC. (US) 2018-05-15 — — US disclosed
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