SCHEMBL8034256

SCHEMBL8034256

CCO[C@H]1CC(CO)[C@](NC(=S)NC(=O)c2ccccc2)(c2ccccc2F)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
ALDH1A1 P00352 10/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 5/20 0.36
MAPT P10636 2/20 0.36
ALOX12 P18054 5/20 0.35
KMT2A Q03164 6/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 5/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2933449 1.00 EPHX1 (0.44) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL8028436 1.00 EPHX1 (0.44) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2619933 1.00 EPHX1 (0.44) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2619928 1.00 EPHX1 (0.44) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2631667 0.87 EPHX1 (0.43) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2109375 0.87 EPHX1 (0.43) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2109377 0.87 EPHX1 (0.43) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL3772199 0.86 EPHX1 (0.40) EPHX1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3772201 0.86 EPHX1 (0.40) EPHX1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8039248 0.86 EPHX1 (0.40) EPHX1ALDH1A1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed