SCHEMBL9460799

SCHEMBL9460799

OC(c1ccccc1)[C@@H]1CCC[N]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
GBA1 P04062 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
UGT2B7 P16662 2/20 0.35
UGT2B17 O75795 1/20 0.35
LMNA P02545 1/20 0.34
NR3C1 P04150 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL9460882 1.00 EPHX1 (0.38) EPHX1L3MBTL1CYP1A2CYP2D6GBA1
SCHEMBL9460794 1.00 EPHX1 (0.38) EPHX1L3MBTL1CYP1A2CYP2D6GBA1
SCHEMBL3909948 0.78 GAA (0.41) EPHX1L3MBTL1CYP1A2CYP2D6HIF1A
SCHEMBL5207895 0.78 DPP4 (0.37) L3MBTL1CYP1A2CYP2D6CYP3A4TSHR
SCHEMBL2254431 0.78 L3MBTL1 (0.33) L3MBTL1CYP1A2CYP2D6HIF1ACYP3A4
SCHEMBL2202292 0.74 GAA (0.37) L3MBTL1CYP2D6TSHRLMNAGAA
SCHEMBL8705439 0.70 KDM4E (0.53) EPHX1L3MBTL1CYP1A2CYP2D6HIF1A
SCHEMBL3310267 0.70 CYP1A2 (0.53) EPHX1L3MBTL1CYP1A2CYP2D6HIF1A
SCHEMBL4676513 0.69 CYP1A2 (0.49) EPHX1L3MBTL1CYP1A2CYP2D6GBA1
SCHEMBL11572938 0.69 GAA (0.33) L3MBTL1LMNAGAA

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
US-5079359-A Ligand to metals with Lewis acidity, catalyst for assymetric synthesis TOSOH CORPORATION (JP) 1992-01-07 US claimed
US-5212311-A Catalysts TOSOH CORPORATION (JP) 1993-05-18 US disclosed
US-5079359-A Ligand to metals with Lewis acidity, catalyst for assymetric synthesis TOSOH CORPORATION (JP) 1992-01-07 US disclosed