SCHEMBL7530660

SCHEMBL7530660

C=Cc1ccc(CNc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.54
PPARA Q07869 2/20 0.51
STING1 Q86WV6 1/20 0.51
ARG1 P05089 1/20 0.45
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NOX4 Q9NPH5 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
RGS12 O14924 1/20 0.43
EGFR P00533 1/20 0.43
LCK P06239 1/20 0.43
MAPT P10636 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
KMT2A Q03164 4/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 3/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7083025 0.89 KDM4C (0.69) KDM4CPPARASTING1ARG1ALDH1A1
SCHEMBL13317165 0.83 KDM4C (0.59) KDM4CPPARASTING1ARG1BCL2L1
SCHEMBL7079654 0.83 KDM4C (0.58) KDM4CPPARASTING1BCL2L1MCL1
SCHEMBL3300413 0.82 PPARA (0.73) KDM4CPPARASTING1ARG1BCL2L1
SCHEMBL3299042 0.80 KDM4C (0.56) KDM4CPPARASTING1ARG1BCL2L1
SCHEMBL7350353 0.77 KMT2A (0.49) BCL2L1MCL1ALDH1A1NOX4TDP1
SCHEMBL11998908 0.77 KMT2A (0.69) ALDH1A1TDP1MAPTKMT2APKM
SCHEMBL1813719 0.76 PTPN1 (0.62) MCL1ALDH1A1TDP1MAPTKMT2A
SCHEMBL3296411 0.75 PPARA (0.57) KDM4CPPARASTING1BCL2L1MCL1
SCHEMBL3299545 0.75 KDM4C (0.51) KDM4CPPARASTING1ARG1BCL2L1

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-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 WO disclosed