SCHEMBL7177101

SCHEMBL7177101

C#CCON=Cc1c(Cl)ccc(C(=O)O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 3/20 0.33
CLCN2 P51788 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 2/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 2/20 0.31
SLC5A2 P31639 1/20 0.31
CYP1A2 P05177 2/20 0.30
HTT P42858 1/20 0.30
CYP2D6 P10635 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL7177098 1.00 TSHR (0.37) TSHRMAPTALDH1A1KDM4EMEN1
SCHEMBL16164212 0.84 LMNA (0.32) TSHRLMNA
SCHEMBL16164214 0.84 LMNA (0.32) TSHRLMNA
SCHEMBL7080277 0.82 TSHR (0.37) TSHRMAPTALDH1A1KDM4EMEN1
SCHEMBL8175837 0.82 TSHR (0.37) TSHRMAPTALDH1A1KDM4EMEN1
SCHEMBL16163859 0.78 KDM4A (0.34) TSHRMAPTALDH1A1KDM4EMEN1
SCHEMBL14920852 0.78 KDM4A (0.34) TSHRMAPTALDH1A1KDM4EMEN1
SCHEMBL16164369 0.77 ALDH1A1 (0.40) TSHRMAPTALDH1A1KDM4EMEN1
SCHEMBL14921076 0.77 ALDH1A1 (0.40) TSHRMAPTALDH1A1KDM4EMEN1
SCHEMBL7173160 0.77 MAPT (0.31) TSHRMAPTALDH1A1KDM4EMEN1

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-6576596-B1 Compatible with crop plants BASF AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed