SCHEMBL14611573

SCHEMBL14611573

CC(C)(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(CI)c3F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.46
▸ MAPT P10636 1/20 0.34
▸ TOP1 P11387 4/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ CMA1 P23946 1/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32

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
SCHEMBL1045211 0.90 METTL3 (0.58) METTL3MAPTTOP1CHRM1KDM4E
SCHEMBL1045210 0.90 METTL3 (0.58) METTL3MAPTTOP1CHRM1KDM4E
SCHEMBL14611504 0.85 METTL3 (0.66) METTL3MAPTHPGDKDM4EALDH1A1
SCHEMBL14611503 0.83 METTL3 (0.58) METTL3MAPT
SCHEMBL4372214 0.81 METTL3 (0.53) METTL3MAPTTOP1CHRM1CMA1
SCHEMBL4371645 0.81 METTL3 (0.53) METTL3MAPTTOP1CHRM1HPGD
SCHEMBL25726683 0.80 METTL3 (0.49) METTL3MAPTALDH1A1RXFP1TP53
SCHEMBL14611501 0.79 KMT2A (0.34) METTL3MAPTHPGDKDM4EALDH1A1
SCHEMBL3239826 0.79 METTL3 (0.50) METTL3MAPTALDH1A1RXFP1TP53
SCHEMBL1045282 0.78 METTL3 (0.73) METTL3MAPTTOP1CHRM1

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-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 — — US disclosed
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