SCHEMBL8715424

SCHEMBL8715424

CC(C)OC(=O)CP(=O)(OC(C)C)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.37
CTSA P10619 1/20 0.36
ACHE P22303 1/20 0.36
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7836557 0.90 LMNA (0.36) LMNATSHRCTSAACHECYP2D6
SCHEMBL1564812 0.87 TSHR (0.39) LMNATSHRCTSAACHEMAPT
SCHEMBL2717779 0.83 POLB (0.40) TSHRCTSAACHEALDH1A1KDM4E
SCHEMBL29170733 0.83 LMNA (0.39) LMNATSHRCYP2D6ALDH1A1MAPT
SCHEMBL15438196 0.81 MEN1 (0.30) TDP1
SCHEMBL15257435 0.81 LMNA (0.38) LMNATSHRCTSAACHECYP2D6
SCHEMBL29170735 0.79 TSHR (0.39) LMNATSHRCYP2D6ALDH1A1MAPT
SCHEMBL11529908 0.79 TSHR (0.43) LMNATSHRMAPTCA12CA1
SCHEMBL2720165 0.79 MGAM (0.43) LMNATSHRCTSAACHECYP2D6
SCHEMBL16046037 0.78 LMNA (0.40) LMNATSHRCTSAACHECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4402276-A1 PROCESS TO PRODUCE (1 R, 4 R)-4-SUBSTITUTED CYCLOHEXANE-1-AMINES Richter Gedeon Nyrt. (HU) 2024-07-24 EP disclosed
CN-118043471-A Process for the production of (1 r,4 r) -4-substituted cyclohexane-1-amines 吉瑞工厂 2024-05-14 CN disclosed
WO-2023042081-A1 PROCESS TO PRODUCE (1r,4r)-4-SUBSTITUTED CYCLOHEXANE-1-AMINES RICHTER GEDEON NYRT. (HU) 2023-03-23 WO disclosed
US-5830902-A SQUALENE SYNTHASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-03 US disclosed
EP-0812840-A1 NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-17 EP disclosed