SCHEMBL28587374

SCHEMBL28587374

CCC(c1ccccc1)c1ccsc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PTPRC P08575 1/20 0.43
ABCC1 P33527 1/20 0.42
LMNA P02545 4/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR2A P28223 2/20 0.40
HRH1 P35367 2/20 0.40
AXL P30530 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL11114629 0.80 L3MBTL1 (0.39) ALDH1A1L3MBTL1PTPRCLMNANPSR1
SCHEMBL2201666 0.79 ABCC1 (0.44) ALDH1A1L3MBTL1PTPRCABCC1LMNA
SCHEMBL2820229 0.74 AXL (0.46) ALDH1A1L3MBTL1PTPRCABCC1LMNA
Bicarbonate SCHEMBL11212986 0.73 LMNA (0.56) LMNAPOLBHTR2AHRH1TDP1
Bicarbonate SCHEMBL7184926 0.73 LMNA (0.56) LMNAPOLBHTR2AHRH1TDP1
SCHEMBL22004403 0.73 ABCC1 (0.42) L3MBTL1PTPRCABCC1LMNANPSR1
SCHEMBL12225720 0.73 AXL (0.44) ALDH1A1L3MBTL1PTPRCABCC1LMNA
Oxalic Acid SCHEMBL9317952 0.72 LMNA (0.54) LMNAPOLBHTR2AHRH1TDP1
SCHEMBL5428376 0.72 ALDH1A1 (0.51) ALDH1A1LMNAPOLBTDP1HPGD
SCHEMBL27581548 0.72 AXL (0.43) ALDH1A1L3MBTL1PTPRCABCC1LMNA

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
CN-108840864-B Preparation method and application of tacrine-heterocyclic conjugate 中国医学科学院生物医学工程研究所 2021-07-27 CN disclosed