SCHEMBL1048231

SCHEMBL1048231

CC(C)C(COC1CCCCO1)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(F)cc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.60
RORC P51449 2/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
TOP1 P11387 2/20 0.32
PTGER4 P35408 1/20 0.32
S1PR3 Q99500 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
CFD P00746 2/20 0.31
VDR P11473 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
P2RX3 P56373 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12960096 1.00 METTL3 (0.60) METTL3RORCEP300CREBBPGAA
SCHEMBL1050734 0.92 METTL3 (0.72) METTL3RORCEP300CREBBPGAA
SCHEMBL1052890 0.92 METTL3 (0.72) METTL3RORCEP300CREBBPGAA
SCHEMBL1048227 0.92 METTL3 (0.50) METTL3KDM4EMAPTALDH1A1LMNA
SCHEMBL1050745 0.92 METTL3 (0.50) METTL3KDM4EMAPTALDH1A1LMNA
SCHEMBL12960113 0.90 METTL3 (0.48) METTL3KDM4EALDH1A1
SCHEMBL12957304 0.84 METTL3 (0.69) METTL3GAAHTTTOP1KDM4E
Biphenyl SCHEMBL1052588 0.83 METTL3 (0.70) METTL3GAAHTTTOP1KDM4E
SCHEMBL2280106 0.83 METTL3 (0.69) METTL3GAAHTTTOP1KDM4E
SCHEMBL1050772 0.82 METTL3 (0.81) METTL3GAAHTTTOP1KDM4E

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-2011004389-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF ELVITEGRAVIR MATRIX LABORATORIES LTD (IN) 2011-01-13 WO disclosed