SCHEMBL18159230

SCHEMBL18159230

CCCCOc1c(F)c(C#N)c(F)c(C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM2 Q14416 1/20 0.31
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
AR P10275 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL18159231 0.94 KDM4E (0.36) KDM4EHPGDGAAMAPTALDH1A1
SCHEMBL18159212 0.90 MAPT (0.37) KDM4EHPGDGAAMAPTALDH1A1
SCHEMBL18159206 0.88 MAPT (0.36) KDM4EHPGDGAAMAPTALDH1A1
SCHEMBL18159207 0.88 MAPT (0.38) KDM4EHPGDGAAMAPTALDH1A1
SCHEMBL10826619 0.83 MAPT (0.35) KDM4EHPGDGAAMAPTALDH1A1
SCHEMBL8162404 0.81 MAPT (0.36) KDM4EHPGDGAAMAPTALDH1A1
SCHEMBL18159211 0.81 MAPT (0.38) KDM4EHPGDGAAMAPTALDH1A1
SCHEMBL19021750 0.80 HPGD (0.39) KDM4EHPGDGAAMAPTALDH1A1
SCHEMBL10457361 0.76 MAPT (0.36) KDM4EHPGDGAAMAPTALDH1A1
SCHEMBL25632733 0.76 MAPT (0.36) KDM4EHPGDGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093252-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2018-04-05 US disclosed
US-9855545-B2 Porous cyclodextrin polymeric materials and methods of making and using same CORNELL UNIVERSITY (US) 2018-01-02 US disclosed
US-20170173560-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2017-06-22 US disclosed
US-9624314-B2 Porous cyclodextrin polymeric materials and methods of making and using same CORNELL UNIVERSITY (US) 2017-04-18 US disclosed
US-20160304630-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME CORNELL UNIVERSITY 2016-10-20 US disclosed