SCHEMBL16152196

SCHEMBL16152196

CC(C)CCC[C@@H](C)C1CCC2[C@]1(C)CCC1[C@]23C=C[C@]2(CC(O)CC[C@]12C)OO3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 1/20 0.55
▸ NPC1L1 Q9UHC9 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ USP2 O75604 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CDC25A P30304 7/20 0.44
▸ CDC25B P30305 7/20 0.44
▸ INPP5D Q92835 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RORC P51449 3/20 0.40
▸ RORA P35398 2/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ OSBP P22059 1/20 0.40
▸ OSBP2 Q969R2 1/20 0.40
▸ CYP46A1 Q9Y6A2 1/20 0.40

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
SCHEMBL8408231 1.00 PLA2G1B (0.55) PLA2G1BNPC1L1MEN1KMT2AUSP2
SCHEMBL30653161 1.00 PLA2G1B (0.55) PLA2G1BNPC1L1MEN1KMT2AUSP2
SCHEMBL16152194 0.81 USP2 (0.42) PLA2G1BUSP2CDC25ACDC25BINPP5D
SCHEMBL8408230 0.81 USP2 (0.42) PLA2G1BUSP2CDC25ACDC25BINPP5D
Ergosterol Peroxide SCHEMBL14067806 0.79 PLA2G1B (0.46) PLA2G1BMEN1KMT2AUSP2LMNA
Ergosterol Peroxide SCHEMBL4537649 0.79 PLA2G1B (0.46) PLA2G1BMEN1KMT2AUSP2LMNA
Ergosterol Peroxide SCHEMBL19715992 0.79 PLA2G1B (0.46) PLA2G1BMEN1KMT2AUSP2LMNA
Ergosterol Peroxide SCHEMBL17368944 0.79 PLA2G1B (0.46) PLA2G1BMEN1KMT2AUSP2LMNA
Ergosterol Peroxide SCHEMBL3281353 0.79 PLA2G1B (0.46) PLA2G1BMEN1KMT2AUSP2LMNA
SCHEMBL6387074 0.76 PLA2G1B (0.59) PLA2G1BNPC1L1MEN1KMT2AUSP2

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-8853194-B2 Sterol derivatives and their synthesis and use Chen, Dagang (CN) 2014-10-07 — — US disclosed
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