SCHEMBL16152194

SCHEMBL16152194

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 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.42
▸ PLA2G1B P04054 1/20 0.41
▸ INPP5D Q92835 1/20 0.41
▸ CDC25A P30304 11/20 0.41
▸ CDC25B P30305 10/20 0.41
▸ SRD5A1 P18405 5/20 0.38
▸ SRD5A2 P31213 2/20 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
SCHEMBL8408230 1.00 USP2 (0.42) USP2PLA2G1BINPP5DCDC25ACDC25B
SCHEMBL16152196 0.81 PLA2G1B (0.55) USP2PLA2G1BINPP5DCDC25ACDC25B
SCHEMBL8408231 0.81 PLA2G1B (0.55) USP2PLA2G1BINPP5DCDC25ACDC25B
SCHEMBL30653161 0.81 PLA2G1B (0.55) USP2PLA2G1BINPP5DCDC25ACDC25B
SCHEMBL5335972 0.67 USP2 (0.53) USP2CDC25ACDC25BSRD5A1SRD5A2
SCHEMBL3042515 0.65 NPC1L1 (0.62) USP2INPP5DSRD5A1SRD5A2
SCHEMBL3042519 0.65 NPC1L1 (0.62) USP2INPP5DSRD5A1SRD5A2
SCHEMBL3042923 0.65 NPC1L1 (0.62) USP2INPP5DSRD5A1SRD5A2
SCHEMBL10262303 0.65 CDC25A (0.41) USP2PLA2G1BINPP5DCDC25ACDC25B
SCHEMBL10292137 0.65 CDC25A (0.41) USP2PLA2G1BINPP5DCDC25ACDC25B

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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