SCHEMBL6193376

SCHEMBL6193376

Cn1ccc(=O)c(OCc2ccccc2)c1C(O)c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
EDNRA P25101 8/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B2 P37059 1/20 0.41
USP2 O75604 1/20 0.41
ALPG P10696 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
EDNRB P24530 4/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL6194746 0.88 MAOB (0.42) MAOBEDNRASMN1; SMN2MAPK1HSD17B2
SCHEMBL6193627 0.83 HTT (0.49) SMN1; SMN2MEN1KMT2AHPGDHTT
SCHEMBL6194103 0.80 MAOB (0.48) MAOBEDNRASMN1; SMN2KMT2AHPGD
SCHEMBL6198797 0.79 MAOB (0.37) MAOBEDNRASMN1; SMN2MAPK1HSD17B2
SCHEMBL6194984 0.78 MAPK1 (0.45) SMN1; SMN2MAPK1HSD17B2USP2ALPG
SCHEMBL6196253 0.76 MAPT (0.43) SMN1; SMN2MEN1KMT2AHPGDHTT
SCHEMBL6196408 0.74 ALDH1A1 (0.44) MAOBSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL2118544 0.72 SMN1; SMN2 (0.47) MAOBSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL6197234 0.72 EDNRA (0.36) MAOBEDNRASMN1; SMN2MAPK1HSD17B2
SCHEMBL6196949 0.70 HTT (0.43) MAOBSMN1; SMN2MEN1KMT2AHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768302-B1 Hydroxypyridinones NOVARTIS AG (CH) 2005-07-06 EP disclosed
US-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US disclosed
EP-0768302-A2 Hydroxypyridinones Novartis AG (CH) 1997-04-16 EP disclosed