SCHEMBL9067975

SCHEMBL9067975

CCO/N=C1\CCSc2c1ccc(C(=O)O)c2C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
RXRA P19793 2/20 0.32
RXRG P48443 2/20 0.32
RXRB P28702 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7979978 1.00 MAPT (0.35) MAPTHPGDALDH1A1PLA2G1BATG4B
SCHEMBL7980033 0.79
SCHEMBL8870962 0.77 RXRA (0.33) MAPTPOLBGAARXRARXRG
SCHEMBL8870967 0.77 RXRA (0.33) MAPTPOLBGAARXRARXRG
SCHEMBL7990916 0.75 KMT2A (0.36) ALDH1A1POLBMEN1KMT2ASLC22A6
SCHEMBL7997428 0.74 KDM4E (0.38) MAPTALDH1A1POLBGAAMEN1
SCHEMBL8870889 0.68 POLB (0.40) ALDH1A1POLBMEN1KMT2ARXRA
SCHEMBL8870887 0.68 POLB (0.40) ALDH1A1POLBMEN1KMT2ARXRA
SCHEMBL8618006 0.66 MAPT (0.39) MAPTHPGDALDH1A1PLA2G1BATG4B
SCHEMBL8618009 0.66 MAPT (0.39) MAPTHPGDALDH1A1PLA2G1BATG4B

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-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed