SCHEMBL8302041

SCHEMBL8302041

C=CNc1ccc(C(=O)OC)c(N(C)C(=O)COC)c1.CCCCCCNc1ccc(C(=O)OC)c(N(C)C(=O)COCc2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MBOAT4 Q96T53 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SENP1 Q9P0U3 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
EGFR P00533 1/20 0.33
PLK1 P53350 3/20 0.32
PPARG P37231 1/20 0.31
GRM5 P41594 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
SCHEMBL6579076 0.91 HDAC8 (0.41) HDAC11HDAC8ALDH1A1CYP3A4TDP1
SCHEMBL6581152 0.84 PLK1 (0.39) KDM4ELMNACYP1A2CYP3A4TDP1
SCHEMBL6579059 0.84 PLK1 (0.39) KDM4ELMNACYP1A2CYP3A4TDP1
SCHEMBL6581131 0.81 KDM4E (0.39) KDM4EALDH1A1HPGDLMNACYP1A2
SCHEMBL6581118 0.80 MAPT (0.37) KDM4EALDH1A1HPGDTDP1SENP1
SCHEMBL6581270 0.78 KMT2A (0.42) KDM4EALDH1A1HPGDLMNACYP1A2
SCHEMBL6579763 0.78 CA1 (0.44) HDAC11HDAC8KDM4EALDH1A1HPGD
SCHEMBL6579793 0.76 CA1 (0.39) KDM4EALDH1A1HPGDLMNASENP1
SCHEMBL6579509 0.76 ALDH1A1 (0.44) KDM4EALDH1A1HPGDLMNATDP1
SCHEMBL6582050 0.76 PLK1 (0.37) KDM4EALDH1A1HPGDLMNACYP1A2

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
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed