SCHEMBL9952544

SCHEMBL9952544

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(O)C4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 5/20 0.70
▸ CDC25B P30305 2/20 0.70
▸ NPC1L1 Q9UHC9 4/20 0.59
▸ USP2 O75604 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ GPBAR1 Q8TDU6 3/20 0.55
▸ INPP5D Q92835 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ ABCB1 P08183 1/20 0.53
▸ OSBP P22059 1/20 0.53
▸ RORC P51449 1/20 0.53
▸ OSBP2 Q969R2 1/20 0.53
▸ CYP46A1 Q9Y6A2 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.51

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
SCHEMBL11377212 1.00 CDC25A (0.70) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL18844064 1.00 CDC25A (0.70) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL28099715 1.00 CDC25A (0.70) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL26642192 0.90 CDC25A (0.56) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL9951528 0.90 CDC25A (0.56) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL6560663 0.89 CDC25A (0.57) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL29760287 0.88 CDC25A (0.54) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL8475208 0.87 CYP2D6 (0.55) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL22472242 0.87 GPBAR1 (0.72) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL5341062 0.87 GPBAR1 (0.72) CDC25ACDC25BNPC1L1USP2LMNA

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 3 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
US-4252719-A REMOVAL OF A TERTIARY HYDROGEN FROM A 5-A-STEROID BY CHLORINATING THE STEROID BEING FIRST ESTERIFIED BY AN IODOARYL-CONTAINING ESTERIFICATION AGENT RESEARCH CORPORATION (US) 1981-02-24 — — US disclosed
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