SCHEMBL11238470

SCHEMBL11238470

CC(=O)c1ccc[n+](Cc2ccc(O)c(O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ERCC1 P07992 2/20 0.44
ERCC4 Q92889 2/20 0.44
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HIF1A Q16665 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
BLM P54132 3/20 0.40
LMNA P02545 2/20 0.40
PTGS1 P23219 2/20 0.40
TDP1 Q9NUW8 3/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
APEX1 P27695 2/20 0.39
PMP22 Q01453 2/20 0.39

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
SCHEMBL14621781 0.80 NPSR1 (0.69) NPSR1L3MBTL1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL14622003 0.79 L3MBTL1 (0.56) NPSR1L3MBTL1APOBEC3AAPOBEC3GALDH1A1
Hydrochloric Acid SCHEMBL2767719 0.79 NPSR1 (0.68) NPSR1L3MBTL1APOBEC3AAPOBEC3GKDM4E
SCHEMBL10220439 0.73 APOBEC3A (0.50) NPSR1L3MBTL1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL19700917 0.71 ALOX15 (0.43) ERCC1ERCC4KDM4EHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL9425023 0.71 NPSR1 (0.50) NPSR1L3MBTL1ERCC1ERCC4MAPT
Trifluoromethanesulfonic Acid SCHEMBL5674195 0.70 L3MBTL1 (0.56) NPSR1L3MBTL1APOBEC3AAPOBEC3GALDH1A1
Water SCHEMBL9425668 0.70 CYP2D6 (0.49) NPSR1L3MBTL1ERCC1ERCC4MAPT
SCHEMBL13934018 0.70 NPSR1 (0.84) NPSR1L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL14621511 0.70 APOBEC3A (0.58) NPSR1L3MBTL1APOBEC3AAPOBEC3GKDM4E

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
US-4338436-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4338439-A BACTERICIDAL ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed