SCHEMBL6560663

SCHEMBL6560663

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 5/20 0.57
▸ CDC25B P30305 2/20 0.57
▸ NPC1L1 Q9UHC9 4/20 0.48
▸ USP2 O75604 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ INPP5D Q92835 1/20 0.46
▸ ABCB1 P08183 1/20 0.45
▸ OSBP P22059 1/20 0.45
▸ RORC P51449 1/20 0.45
▸ OSBP2 Q969R2 1/20 0.45
▸ CYP46A1 Q9Y6A2 1/20 0.45
▸ GPBAR1 Q8TDU6 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ POLA1 P09884 1/20 0.43

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
SCHEMBL18844064 0.89 CDC25A (0.70) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL28099715 0.89 CDC25A (0.70) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL11377212 0.89 CDC25A (0.70) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL9952544 0.89 CDC25A (0.70) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL15477612 0.87 CYP2D6 (0.55) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL9951548 0.87 CYP2D6 (0.55) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL26642627 0.87 CYP2D6 (0.55) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL9952539 0.87 CYP2D6 (0.55) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL6559019 0.83 CDC25A (0.62) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL27506459 0.83 CDC25A (0.52) 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-0735403-B1 Liquid crystal orienting agent JSR CORP (JP) 2004-03-17 — — EP disclosed
US-5700860-A Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-12-23 — — US disclosed
EP-0735403-A1 Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-10-02 — — EP disclosed
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