SCHEMBL7924322

SCHEMBL7924322

C[C@H]1CC(CO)C(NC(=S)NC(=O)c2ccccc2)(c2ccccc2F)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.43
ALDH1A1 P00352 9/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALOX12 P18054 3/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
RAB7A P51149 1/20 0.36
MEN1 O00255 3/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9913310 1.00 EPHX1 (0.43) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL15783613 0.87 BACE1 (0.38) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL7929459 0.87 EPHX1 (0.40) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL9913406 0.87 EPHX1 (0.40) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL2632313 0.85 EPHX1 (0.42) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL2631629 0.85 EPHX1 (0.42) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL18597910 0.85 EPHX1 (0.42) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL3803423 0.85 EPHX1 (0.42) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL2111012 0.84 EPHX1 (0.44) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL15769240 0.84 EPHX1 (0.41) EPHX1ALDH1A1LMNAMAPTALOX12

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-2010038686-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2010-04-08 WO disclosed