SCHEMBL9951528

SCHEMBL9951528

CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.56
▸ CDC25B P30305 1/20 0.56
▸ OSBP P22059 2/20 0.56
▸ NR1H3 Q13133 1/20 0.56
▸ RORC P51449 1/20 0.56
▸ GPBAR1 Q8TDU6 7/20 0.53
▸ MAPT P10636 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ GPR183 P32249 2/20 0.51
▸ NR1H4 Q96RI1 3/20 0.48
▸ NPC1L1 Q9UHC9 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ AKR1B10 O60218 1/20 0.47
▸ AKR1B1 P15121 1/20 0.47
▸ EFNA1 P20827 1/20 0.47
▸ EPHA2 P29317 1/20 0.47

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
SCHEMBL26642192 1.00 CDC25A (0.56) CDC25ACDC25BOSBPNR1H3RORC
SCHEMBL11377212 0.90 CDC25A (0.70) CDC25ACDC25BOSBPRORCGPBAR1
SCHEMBL28099715 0.90 CDC25A (0.70) CDC25ACDC25BOSBPRORCGPBAR1
SCHEMBL9952544 0.90 CDC25A (0.70) CDC25ACDC25BOSBPRORCGPBAR1
SCHEMBL18844064 0.90 CDC25A (0.70) CDC25ACDC25BOSBPRORCGPBAR1
SCHEMBL3231117 0.89 OSBP (0.52) CDC25ACDC25BOSBPNR1H3RORC
SCHEMBL13076838 0.88 GPBAR1 (0.68) OSBPNR1H3RORCGPBAR1MAPT
SCHEMBL29760287 0.85 CDC25A (0.54) CDC25ACDC25BOSBPGPBAR1MAPT
SCHEMBL133953 0.83 EPHA2 (0.68) CDC25AOSBPNR1H3RORCGPBAR1
SCHEMBL17912309 0.83 EPHA2 (0.68) CDC25AOSBPNR1H3RORCGPBAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654779-A1 LIPOSOMAL FORMULATION OF NONGLYCOSIDIC CERAMIDES AND USES THEREOF Ludwig Institute for Cancer Research, Ltd. (US) 2013-10-30 — — EP disclosed
WO-2012088414-A1 LIPOSOMAL FORMULATION OF NONGLYCOSIDIC CERAMIDES AND USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) 2012-06-28 — — WO disclosed
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