SCHEMBL8538429

SCHEMBL8538429

Cc1cccc(C(C(=O)O)C(O)=S)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
SRC P12931 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
ACHE P22303 1/20 0.38
CTSA P10619 1/20 0.37
CYP26A1 O43174 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR139 Q6DWJ6 1/20 0.37
PTGS1 P23219 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
SCHEMBL28195432 0.89 SRC (0.58) ACP3SRCSMN1; SMN2AKR1C3AKR1C2
SCHEMBL2263996 0.84 ACP3 (0.49) ACP3SRCSMN1; SMN2AKR1C3AKR1C2
SCHEMBL8540412 0.81 TPMT (0.41) SRCAKR1C3AKR1C2MAPTHTT
SCHEMBL8538808 0.79 MEN1 (0.49) ACP3SRCPARP1MAPTLMNA
SCHEMBL27278586 0.78 SRC (0.73) SRCLMNAHDAC8HDAC6
SCHEMBL8534165 0.78 L3MBTL1 (0.50) PARP1LMNAPOLBPTGS1
SCHEMBL3303520 0.78 ACP3 (0.50) ACP3SRCSMN1; SMN2PARP1MAPT
SCHEMBL4619753 0.77 ACP3 (0.53) ACP3SRCSMN1; SMN2AKR1C3AKR1C2
SCHEMBL9321541 0.77 PARP1 (0.53) ACP3SMN1; SMN2PARP1LMNAACHE
SCHEMBL1492650 0.76 PTGS1 (0.61) ACP3SMN1; SMN2AKR1C3AKR1C2MAPT

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed