SCHEMBL23079552

SCHEMBL23079552

CCc1ccsc1C(=O)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
NR4A2 P43354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTB4R Q15722 6/20 0.40
GSK3B P49841 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP5 P45974 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37
ABCC1 P33527 1/20 0.37
FFAR1 O14842 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL23079559 0.80 SRD5A2 (0.36) KMT2AL3MBTL1GSK3BPOLBALDH1A1
SCHEMBL6915936 0.80 GSK3B (0.62) KMT2ANR4A2GSK3BPOLBGAA
SCHEMBL2065269 0.79 ABCC1 (0.50) KMT2AL3MBTL1GSK3BALDH1A1GAA
SCHEMBL24577690 0.77 ABCC1 (0.40) KMT2ALTB4RGSK3BALDH1A1GAA
SCHEMBL23079439 0.76 STING1 (0.50) KMT2ALTB4RALDH1A1CYP2C19MEN1
SCHEMBL14614093 0.75 MAPK8 (0.42) KMT2AGSK3BALDH1A1CYP2C19GAA
SCHEMBL4398553 0.74 ABCC1 (0.46) KMT2AL3MBTL1GSK3BMEN1ABCC1
SCHEMBL2279587 0.73 BCAT2 (0.47) KMT2AGSK3BPOLBALDH1A1GAA
SCHEMBL9115711 0.73 ABCC1 (0.38) KMT2ALTB4RGSK3BALDH1A1GAA
SCHEMBL4599796 0.73 LTB4R (0.51) KMT2ALTB4RPOLBALDH1A1GAA

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-20210071004-A1 NEAR-INFRARED ABSORBING DYE, OPTICAL FILTER, AND IMAGING DEVICE AGC Inc. (JP) 2021-03-11 US disclosed