SCHEMBL8763566

SCHEMBL8763566

Cc1ccc(S(=O)(=O)O)cc1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
PTGS2 P35354 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
SCHEMBL656155 0.98 PTGS2 (0.42) ALDH1A1PTGS2CA12CA1CA2
SCHEMBL29104732 0.93 CA1 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL778058 0.86 CA1 (0.36) ALDH1A1PTGS2CA12CA1CA2
SCHEMBL10596658 0.84 ALDH1A1 (0.35) ALDH1A1CA12CA1CA2CA7
SCHEMBL778787 0.84 ALDH1A1 (0.35) ALDH1A1PTGS2CA12CA1CA2
SCHEMBL9099580 0.83 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA7
SCHEMBL8788235 0.83 CYP2D6 (0.37) ALDH1A1CA12CA1CA2CA7
SCHEMBL658620 0.83 ALDH1A1 (0.40) ALDH1A1CA12CA1CA2CA7
SCHEMBL5598083 0.82 PTGS2 (0.46) ALDH1A1PTGS2CA12CA1CA2
SCHEMBL8089603 0.81 MEN1 (0.38) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635485-B1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 1997-06-11 EP disclosed
US-5554581-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
US-5506190-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-04-09 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed