SCHEMBL7308664

SCHEMBL7308664

Cc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.76
ALDH1A1 P00352 2/20 0.71
POLB P06746 1/20 0.70
AKR1C3 P42330 5/20 0.67
AKR1C1 Q04828 2/20 0.67
RAB9A P51151 1/20 0.62
LMNA P02545 3/20 0.61
GAA P10253 2/20 0.61
USP2 O75604 1/20 0.61
CYP2C19 P33261 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPK1 P28482 1/20 0.59

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
SCHEMBL7458911 0.92 AKR1C3 (0.64) MAPTALDH1A1POLBAKR1C3AKR1C1
SCHEMBL12793334 0.89 MAPT (0.80) MAPTALDH1A1AKR1C3AKR1C1RAB9A
SCHEMBL19392388 0.89 MAPT (0.80) MAPTALDH1A1AKR1C3AKR1C1RAB9A
SCHEMBL25293495 0.89 MAPT (0.80) MAPTALDH1A1AKR1C3AKR1C1RAB9A
SCHEMBL10282884 0.88 ALDH1A1 (0.70) MAPTALDH1A1POLBRAB9ALMNA
SCHEMBL14538823 0.88 ALDH1A1 (0.70) MAPTALDH1A1POLBRAB9ALMNA
SCHEMBL4701073 0.87 MAPT (0.77) MAPTALDH1A1AKR1C3AKR1C1LMNA
SCHEMBL21669903 0.87 MAPT (0.77) MAPTALDH1A1AKR1C3AKR1C1LMNA
SCHEMBL610121 0.87 MAPT (0.77) MAPTALDH1A1AKR1C3AKR1C1LMNA
SCHEMBL25288750 0.86 MAPT (0.76) MAPTALDH1A1AKR1C3AKR1C1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1336930-A Bridged heterocyclic derivatives GPINIL HOLDING CORP (US) 2002-02-20 CN disclosed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed