SCHEMBL11214673

SCHEMBL11214673

[CH2]c1ccc(SC)cc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.65
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
DTYMK P23919 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 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
SCHEMBL11723811 0.82 MCL1 (0.71) MCL1AKR1C3AKR1C2HSD17B10KMT2A
SCHEMBL2845642 0.78 MCL1 (0.67) MCL1AKR1C3AKR1C2HSD17B10KMT2A
SCHEMBL3187695 0.78 MCL1 (1.00) MCL1HSD17B10KMT2AHTTHPGD
SCHEMBL7207048 0.77 MCL1 (0.65) MCL1AKR1C3AKR1C2HSD17B10KMT2A
SCHEMBL3978328 0.77 MCL1 (0.65) MCL1AKR1C3AKR1C2HSD17B10KMT2A
SCHEMBL1285810 0.77 MCL1 (0.65) MCL1HSD17B10KMT2ATSHRHTT
SCHEMBL2823587 0.77 MCL1 (0.65) MCL1AKR1C3AKR1C2HSD17B10KMT2A
SCHEMBL1017987 0.74 MCL1 (0.61) MCL1AKR1C3AKR1C2KMT2ASMN1; SMN2
SCHEMBL3161431 0.74 MCL1 (0.72) MCL1AKR1C3AKR1C2HSD17B10KMT2A
SCHEMBL17627402 0.74 MCL1 (0.61) MCL1AKR1C3AKR1C2HSD17B10KMT2A

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
EP-0090603-A2 Antibacterial compounds BEECHAM GROUP PLC (GB) 1983-10-05 EP disclosed