SCHEMBL8867715

SCHEMBL8867715

[O]CCc1ccc(N[S+]([O-])c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.35
▸ HTR6 P50406 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ HDAC1 Q13547 3/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32

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
SCHEMBL8867721 0.83 TDP1 (0.50) FFAR1FFAR4CA12CA1CA2
SCHEMBL20715471 0.83 SIGMAR1 (0.39) CA2
SCHEMBL5549485 0.79 ALDH1A1 (0.39) ALDH1A1HPGDALOX15ALOX12HSD17B10
SCHEMBL1837 0.70 — —
SCHEMBL8868648 0.68 SMN1; SMN2 (0.63) MAPTHTTMEN1KMT2A
SCHEMBL18773979 0.68 TP53 (0.42) HPGDHDAC1HDAC3HDAC4HDAC7
SCHEMBL10540891 0.67 GFER (0.42) FFAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL23554965 0.67 HPGD (0.48) ALDH1A1HPGDALOX12CA12CA1
SCHEMBL11762144 0.67 MAPT (0.48) ALDH1A1HPGDALOX15ALOX12HSD17B10
SCHEMBL22112759 0.67 FFAR4 (0.32) FFAR4ALDH1A1ALOX15ALOX12CASP1

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 — — US disclosed
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