SCHEMBL3225451

SCHEMBL3225451

C[C@H](CO)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(O)CCC2CCCC[C@@]21C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 6/20 0.41
▸ CDC25B P30305 6/20 0.41
▸ GPBAR1 Q8TDU6 5/20 0.41
▸ EPHA2 P29317 2/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ EFNA1 P20827 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ INPP5D Q92835 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
SCHEMBL6706039 0.87 CDC25A (0.49) CDC25ACDC25BGPBAR1EPHA2AKR1B10
SCHEMBL17825552 0.86 PTPN1 (0.45) CDC25ACDC25BGPBAR1EPHA2AKR1B10
SCHEMBL5406429 0.85 INPP5D (0.47) CDC25ACDC25BGPBAR1EPHA2AKR1B10
SCHEMBL15536787 0.83 VDR (0.48) CDC25ACDC25BINPP5D
SCHEMBL3225968 0.83 PTPN1 (0.46) CDC25ACDC25BGPBAR1EPHA2AKR1B10
SCHEMBL15536784 0.83 VDR (0.48) CDC25ACDC25BINPP5D
SCHEMBL26750437 0.78 INPP5D (0.42) CDC25ACDC25BGPBAR1EPHA2AKR1B10
SCHEMBL5925979 0.78 GPBAR1 (0.37) CDC25ACDC25BGPBAR1EPHA2AKR1B10
SCHEMBL25711251 0.73 USP2 (0.56) CDC25ACDC25BGPBAR1EPHA2AKR1B10
SCHEMBL9782748 0.73 GPBAR1 (0.71) GPBAR1EPHA2AKR1B10AKR1B1EFNA1

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-2010006129-A2 2-METHYLENE-(22E)-25-(1-METHYLENE-HEXYL)-26,27-CYCLO-22-DEHYDRO-19-NOR-VITAMIN D ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-14 — — WO disclosed
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