SCHEMBL10821097

SCHEMBL10821097

CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C45CC4CC[C@]5(C)[C@H]3CC[C@]12C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 6/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ BACE1 P56817 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ POLA1 P09884 1/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ TOP2B Q02880 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL10821098 1.00 NPC1L1 (0.43) NPC1L1NFKB1NFKB2RELALMNA
SCHEMBL15694753 0.88 NPC1L1 (0.56) NPC1L1NFKB1NFKB2RELALMNA
SCHEMBL11125990 0.88 NPC1L1 (0.56) NPC1L1NFKB1NFKB2RELALMNA
SCHEMBL14005008 0.86 NPC1L1 (0.45) NPC1L1NFKB1NFKB2RELALMNA
SCHEMBL11755500 0.80 NPC1L1 (0.48) NPC1L1NFKB1NFKB2RELALMNA
SCHEMBL9814584 0.79 NPC1L1 (0.43) NPC1L1LMNAMEN1KMT2AUSP2
SCHEMBL11823008 0.78 NPC1L1 (0.52) NPC1L1LMNAMEN1KMT2AUSP2
SCHEMBL14007452 0.77 NPC1L1 (0.70) NPC1L1LMNAMEN1KMT2AUSP2
SCHEMBL13988168 0.77 NPC1L1 (0.70) NPC1L1LMNAMEN1KMT2AUSP2
SCHEMBL131383 0.77 NPC1L1 (0.70) NPC1L1LMNAMEN1KMT2AUSP2

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-4614620-A Process for producing i-brassicasterol KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-09-30 — — US disclosed
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