SCHEMBL7772069

SCHEMBL7772069

COC(=O)Cn1c(C)cc(Sc2ccccc2)c(NC(=O)OC)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 8/20 0.40
TSHR P16473 3/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
NR1I2 O75469 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK14 Q16539 1/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
RCE1 Q9Y256 1/20 0.36
RAB9A P51151 3/20 0.36

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
SCHEMBL7767872 0.91 KAT2B (0.46) KDM4ESMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL7775656 0.89 MGLL (0.40) KDM4ESMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL7775651 0.89 LPAR1 (0.40) KDM4ESMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL7773564 0.84 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL7772066 0.82 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL7772059 0.80 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL8108980 0.71 PTGDR2 (0.45) KDM4EALDH1A1LMNAHPGD
SCHEMBL7772041 0.70 KAT2B (0.47) KDM4ESMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL7773817 0.70 F2 (0.45) KDM4EALDH1A1MAPTHPGDRXFP1
SCHEMBL7772048 0.69 F2 (0.43) KDM4ESMN1; SMN2ALDH1A1TSHRHSD17B10

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
US-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed