SCHEMBL22872155

SCHEMBL22872155

CC[C@H](CCC(C)C1CCC2C3CC(OC)C45CC4CCC5(C)C3CCC12C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ CTSD P07339 1/20 0.45
▸ NPC1L1 Q9UHC9 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ VDR P11473 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ POLA1 P09884 1/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ TOP2B Q02880 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
SCHEMBL12136662 1.00 POLB (0.46) POLBTSHRTDP1F2DPP4
SCHEMBL12138261 1.00 POLB (0.46) POLBTSHRTDP1F2DPP4
SCHEMBL11117436 0.92 NPC1L1 (0.41) POLBTSHRTDP1F2DPP4
SCHEMBL11116663 0.92 NPC1L1 (0.41) POLBTSHRTDP1F2DPP4
SCHEMBL11115189 0.91 NPC1L1 (0.42) POLBTSHRTDP1F2DPP4
SCHEMBL11114829 0.91 NPC1L1 (0.42) POLBTSHRTDP1F2DPP4
SCHEMBL22872156 0.89 NPC1L1 (0.43) TDP1NPC1L1MEN1USP2LMNA
SCHEMBL9827579 0.89 NPC1L1 (0.45) TDP1NPC1L1MEN1USP2LMNA
SCHEMBL10425066 0.89 NPC1L1 (0.42) NPC1L1MEN1USP2LMNATP53
SCHEMBL10425065 0.89 NPC1L1 (0.42) NPC1L1MEN1USP2LMNATP53

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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