SCHEMBL7950818

SCHEMBL7950818

Cc1ccc(S(=O)(=O)O[C@H](C(=O)CCCc2ccccc2)[C@H](N)Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
LTA4H P09960 1/20 0.39
CNR2 P34972 1/20 0.38
FKBP1A P62942 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 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
SCHEMBL8770455 0.79 P2RX7 (0.43) LMNAGAAMAPTALDH1A1BCHE
SCHEMBL7950816 0.79 PLAAT3 (0.43) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL11784096 0.74 BCHE (0.49) LMNAGAACNR2ALDH1A1L3MBTL1
SCHEMBL8206560 0.74 GAA (0.50) LMNAGAACNR2ALDH1A1L3MBTL1
SCHEMBL8322191 0.74 GAA (0.50) LMNAGAACNR2ALDH1A1L3MBTL1
SCHEMBL8187178 0.74 GAA (0.50) LMNAGAACNR2ALDH1A1L3MBTL1
SCHEMBL7341952 0.72 PPARG (0.57) LMNAGAA
SCHEMBL6934702 0.72 GAA (0.48) LMNAGAACNR2ALDH1A1L3MBTL1
SCHEMBL7950574 0.72 SLC1A1 (0.42) LMNAALDH1A1BCHEACHE
SCHEMBL7655523 0.71 ALDH1A1 (0.49) TDP1PLAAT3PLAAT5PLAAT2PLAAT4

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
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed