SCHEMBL8308409

SCHEMBL8308409

COC(=O)C(C)Oc1ccc(Cn2c(=O)[nH]c(C(F)(F)F)c(C)c2=O)c(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
CMA1 P23946 3/20 0.31
DDR1 Q08345 5/20 0.31
P2RX3 P56373 3/20 0.31
HRH1 P35367 1/20 0.31
CCR3 P51677 1/20 0.31
KCNH2 Q12809 1/20 0.31
ELANE P08246 1/20 0.31
EPHX2 P34913 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
SCHEMBL8305542 0.91 DDR1 (0.32) ALDH1A1SMN1; SMN2PPARGMAPTHSD17B13
SCHEMBL8309156 0.90 DDR1 (0.32) ALDH1A1SMN1; SMN2PPARGMAPTHSD17B13
SCHEMBL8304561 0.88 P2RX3 (0.36) ALDH1A1SMN1; SMN2MAPTDDR1P2RX3
SCHEMBL8308815 0.86
SCHEMBL8303240 0.81 RORC (0.37) ALDH1A1KDM4EPPARGMAPTHSD17B13
SCHEMBL8307160 0.78 KDM4E (0.37) ALDH1A1KDM4EDDR1
SCHEMBL7472616 0.75 P2RX3 (0.34) ALDH1A1SMN1; SMN2KDM4EGAAPPARG
SCHEMBL10614819 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL8308410 0.68
SCHEMBL7471410 0.66 PPARG (0.33) ALDH1A1SMN1; SMN2PPARGHSD17B13CMA1

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
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed