SCHEMBL9781024

SCHEMBL9781024

NC(=O)c1ccc(C(N)=O)c(CCC(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.37
HTR1D P28221 3/20 0.37
HTR2C P28335 3/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1B P28222 1/20 0.37
HTR7 P34969 1/20 0.37
HTR5A P47898 1/20 0.37
HTR6 P50406 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
LCK P06239 1/20 0.36
PARP1 P09874 6/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9780896 0.88 FAAH (0.34) HTR1AHTR1DHTR2CTSHRHSD17B10
SCHEMBL17474254 0.86 HTR1A (0.42) HTR1AHTR1DHTR2CTSHRHSD17B10
SCHEMBL27467963 0.81 HTR1A (0.40) HTR1AHTR1DHTR2CTSHRHSD17B10
SCHEMBL2977013 0.79 HSD17B10 (0.42) HTR1AHTR1DHTR2CTSHRHSD17B10
SCHEMBL28352954 0.79 HTR1A (0.42) HTR1AHTR1DHTR2CTSHRHSD17B10
SCHEMBL3897418 0.79 KDM4E (0.47) TSHRHSD17B10POLBMAPTL3MBTL1
SCHEMBL8581956 0.78 PLA2G10 (0.42) HTR1AHTR1DHTR2CTSHRHSD17B10
SCHEMBL5006032 0.77 MAPK1 (0.45) TSHRHSD17B10KMT2ALCKPARP1
SCHEMBL10918140 0.77 PKM (0.43) HTR1AHTR1DHTR2CTSHRHSD17B10
SCHEMBL9709120 0.77 HTR1A (0.43) HTR1AHTR1DHTR2CTSHRHSD17B10

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
US-5049280-A 2,3-dihydroxyterephthalamides as highly effective metal ion sequestering compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-09-17 US disclosed