SCHEMBL3225968

SCHEMBL3225968

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.46
▸ 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
▸ USP2 O75604 1/20 0.39
▸ NR1H4 Q96RI1 3/20 0.37
▸ DHCR24 Q15392 3/20 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
SCHEMBL14647795 0.84 GPBAR1 (0.48) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL3225451 0.83 CDC25A (0.41) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL17825552 0.80 PTPN1 (0.45) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL5406429 0.79 INPP5D (0.47) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL15536784 0.76 VDR (0.48) INPP5DCDC25ACDC25B
SCHEMBL15536787 0.76 VDR (0.48) INPP5DCDC25ACDC25B
SCHEMBL6706039 0.76 CDC25A (0.49) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL7417161 0.74 GABRP (0.38) AKR1B10AKR1B1MEN1LMNAKMT2A
SCHEMBL25711251 0.72 USP2 (0.56) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL9390498 0.72 GPBAR1 (0.38) PTPN1GPBAR1EPHA2AKR1B10AKR1B1

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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