SCHEMBL7997013

SCHEMBL7997013

Cc1nccc(Oc2ccc(O)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
LTA4H P09960 6/20 0.43
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
NR2F2 P24468 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 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
SCHEMBL1643575 0.82 MEN1 (0.47) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL4797920 0.82 MEN1 (0.37) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL27448990 0.82 L3MBTL1 (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL2904320 0.80 MEN1 (0.46) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL2903343 0.79 ALOX5AP (0.34) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL31617489 0.78 LMNA (0.45) NPC1MAPTKDM4ELMNARAB9A
SCHEMBL4365311 0.78 KDR (0.50) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL2906037 0.76 MAPT (0.42) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL5686902 0.75 DRD1 (0.50) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL4795261 0.73 KDM4E (0.41) MEN1KMT2ANPC1MAPTALDH1A1

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-2009113320-A1 MMP INHIBITOR 株式会社ヤクルト本社 (JP) 2009-09-17 WO disclosed