SCHEMBL7923604

SCHEMBL7923604

COCOc1ccc(-c2ccc(C(=O)OC)c(OC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EGFR P00533 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
FYN P06241 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGER4 P35408 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ABCB1 P08183 1/20 0.41
RARG P13631 1/20 0.41

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
SCHEMBL31430636 0.88 KMT2A (0.49) KDM4ETDP1KMT2AMEN1LMNA
SCHEMBL7922447 0.88 TDP1 (0.51) KDM4EEGFRTDP1KMT2AALDH1A1
SCHEMBL7928723 0.85 PLA2G2A (0.50) KDM4EEGFRTDP1ALDH1A1MAPT
SCHEMBL7920254 0.85 PLA2G2A (0.51) KDM4ECYP2D6EGFRTDP1L3MBTL1
SCHEMBL8200617 0.83 CHEK1 (0.59) CHEK1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL7920655 0.83 MRGPRX4 (0.45) KDM4EEGFRTDP1PTGER4MAPT
SCHEMBL10280565 0.82 MCL1 (0.54) EGFRLMNASMN1; SMN2PTGER4ALDH1A1
SCHEMBL4145981 0.82 TDP1 (0.49) CHEK1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4304248 0.81 MAPT (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10279999 0.81 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed