SCHEMBL27698166

SCHEMBL27698166

COC(=O)CCc1c(O)cccc1Nc1nc(-c2ccc(C#N)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.49
CFTR P13569 1/20 0.46
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 3/20 0.46
HTT P42858 2/20 0.46
ALOX5 P09917 2/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
MRE11 P49959 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
CYP1A2 P05177 2/20 0.40
NSD2 O96028 1/20 0.40
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
ALPI P09923 1/20 0.40

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
SCHEMBL4080677 0.78 ALOX5 (0.70) VCPCFTRKDM4EKMT2AMEN1
SCHEMBL9250823 0.74 CDC25A (0.52) VCPKDM4EKMT2AMEN1MAPT
SCHEMBL14458516 0.73 ALOX5 (0.72) VCPCFTRKDM4EKMT2AMEN1
SCHEMBL4078495 0.73 KDM4E (0.51) VCPCFTRKDM4EKMT2AMEN1
SCHEMBL4074331 0.73 KDM4E (0.48) VCPCFTRKDM4EKMT2AMEN1
SCHEMBL3603836 0.71 MAPT (0.59) VCPCFTRKDM4EKMT2AMEN1
SCHEMBL12298086 0.70 CFTR (0.64) VCPCFTRKDM4EKMT2AMEN1
SCHEMBL23742654 0.70 VCP (0.58) VCPCFTRKDM4EKMT2AMEN1
SCHEMBL10660997 0.69 KDM4E (0.46) VCPCFTRKDM4EKMT2AMEN1
SCHEMBL8824039 0.69 ITGB3 (0.58) KDM4EKMT2AMEN1MAPTGAA

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
CN-101098862-A New 3-phenylpropionic acid derivatives and their use as ppar-gamma rezeptor liganden ADAMED SP ZOO (PL) 2008-01-02 CN disclosed