SCHEMBL22872156

SCHEMBL22872156

COC1CC2C3CCC(C(C)CC[C@H](C)C(C)C)C3(C)CCC2C2(C)CCC3CC312

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 5/20 0.43
▸ USP2 O75604 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ P2RY12 Q9H244 1/20 0.41
▸ GPBAR1 Q8TDU6 4/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ VDR P11473 1/20 0.40
▸ POLA1 P09884 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ TOP2B Q02880 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ INPP5D Q92835 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL9827579 0.90 NPC1L1 (0.45) NPC1L1USP2TP53MEN1LMNA
SCHEMBL12136662 0.89 POLB (0.46) NPC1L1USP2TP53MEN1LMNA
SCHEMBL12138261 0.89 POLB (0.46) NPC1L1USP2TP53MEN1LMNA
SCHEMBL22872155 0.89 POLB (0.46) NPC1L1USP2TP53MEN1LMNA
SCHEMBL9829186 0.89 GPBAR1 (0.47) NPC1L1USP2TP53MEN1LMNA
SCHEMBL26669399 0.89 GPBAR1 (0.47) NPC1L1USP2TP53MEN1LMNA
SCHEMBL11117436 0.89 NPC1L1 (0.41) NPC1L1USP2TP53MEN1LMNA
SCHEMBL11116663 0.89 NPC1L1 (0.41) NPC1L1USP2TP53MEN1LMNA
SCHEMBL24632922 0.88 NPC1L1 (0.57) NPC1L1USP2TP53MEN1LMNA
SCHEMBL22872157 0.88 NPC1L1 (0.57) NPC1L1USP2TP53MEN1LMNA

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
WO-2021005618-A1 SYNTHESIS OF CHOLESTEROL AND VITAMIN D3 FROM PHYTOSTEROLS FERMENTA BIOTECH LIMITED (IN) 2021-01-14 — — WO disclosed
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