SCHEMBL28056195

SCHEMBL28056195

Nc1cccc(OC(F)(F)F)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.40
MMP2 P08253 1/20 0.38
ALDH1A1 P00352 3/20 0.34
ADRA2B P18089 1/20 0.34
PTGS1 P23219 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
GAA P10253 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
SCN9A Q15858 3/20 0.33
ALOX15 P16050 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL1044949 0.85 ALDH1A1 (0.39) MPLALDH1A1KDM4EMAPTGAA
SCHEMBL28785709 0.81 ALDH1A1 (0.52) MPLMMP2ALDH1A1TDP1KDM4E
SCHEMBL2848722 0.79 MPL (0.41) MPLALDH1A1ADRA2BPTGS1TDP1
SCHEMBL112134 0.79 ALDH1A1 (0.50) MPLALDH1A1ADRA2BPTGS1TDP1
SCHEMBL29893374 0.79 ALDH1A1 (0.50) MPLALDH1A1ADRA2BPTGS1TDP1
SCHEMBL12480337 0.78 MPL (0.51) MPLALDH1A1ADRA2BPTGS1TDP1
SCHEMBL4218979 0.78 ALB (0.39) MPLKDM4EGAARXRARXRB
Hydrochloric Acid SCHEMBL27585317 0.77 ALDH1A1 (0.48) MPLALDH1A1ADRA2BPTGS1TDP1
Hydrochloric Acid SCHEMBL4379610 0.77 ALDH1A1 (0.48) MPLALDH1A1ADRA2BPTGS1TDP1
SCHEMBL565066 0.76 MMP2 (0.45) MMP2ALDH1A1ADRA2BPTGS1TDP1

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
CN-110114358-A Novel compound and pharmacologically acceptable salt thereof 明治制果药业株式会社 2019-08-09 CN disclosed
CN-105431427-A Novel PDE4 inhibitor MEIJI SEIKA PHARMA CO LTD 2016-03-23 CN disclosed