SCHEMBL2477699

SCHEMBL2477699

CCC(=Cc1c([C@@H](C)OCC2CO2)cccc1C(F)(F)F)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.41
PPARG P37231 1/20 0.39
FFAR1 O14842 7/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CTSS P25774 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CXCR5 P32302 1/20 0.31

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
SCHEMBL2477700 1.00 EPHX2 (0.41) EPHX2PPARGFFAR1CYP1A2CYP3A4
SCHEMBL2480037 0.87 EPHX2 (0.32) EPHX2SMN1; SMN2
SCHEMBL2480035 0.87 EPHX2 (0.32) EPHX2SMN1; SMN2
SCHEMBL2473954 0.87 ALDH1A1 (0.33) EPHX2TDP1
SCHEMBL2473955 0.87 ALDH1A1 (0.33) EPHX2TDP1
SCHEMBL2673318 0.83 SLC6A2 (0.36) FFAR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2673314 0.83 SLC6A2 (0.36) FFAR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2673320 0.83 SLC6A2 (0.36) FFAR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2480356 0.81 MGLL (0.38) TDP1
SCHEMBL2480359 0.81 MGLL (0.38) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed