SCHEMBL6829604

SCHEMBL6829604

O=Cc1ccc(C(=O)Oc2ccccc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.48
TMPRSS15 P98073 3/20 0.48
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CSF1R P07333 1/20 0.43
GLA P06280 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NSD2 O96028 1/20 0.41
F2 P00734 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6826476 0.85 KMT2A (0.63) PRSS1TMPRSS15KMT2AALDH1A1TSHR
SCHEMBL6829246 0.85 KMT2A (0.51) PRSS1TMPRSS15KMT2AALDH1A1TSHR
SCHEMBL6828651 0.85 PRSS1 (0.45) PRSS1TMPRSS15KMT2AALDH1A1HSD17B10
SCHEMBL6831061 0.85 MAPT (0.51) PRSS1TMPRSS15KMT2AALDH1A1TSHR
SCHEMBL6829309 0.85 KMT2A (0.49) PRSS1TMPRSS15KMT2AALDH1A1TSHR
SCHEMBL70871 0.83 HSD17B10 (0.53) PRSS1TMPRSS15KMT2AALDH1A1HSD17B10
SCHEMBL6831027 0.82 LMNA (0.51) PRSS1TMPRSS15KMT2AALDH1A1HSD17B10
SCHEMBL6828603 0.82 KIF11 (0.44) PRSS1TMPRSS15KMT2AALDH1A1TSHR
SCHEMBL6831080 0.82 MAPT (0.54) PRSS1TMPRSS15KMT2AALDH1A1TSHR
SCHEMBL6826069 0.79 KMT2A (0.47) PRSS1TMPRSS15KMT2AALDH1A1HSD17B10

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-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 WO disclosed