SCHEMBL27404576

SCHEMBL27404576

O=S(=O)(c1ccccc1)c1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.58
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
LOX P28300 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GALR1 P47211 1/20 0.41
MMP2 P08253 3/20 0.41
MMP14 P50281 3/20 0.41
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41

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
SCHEMBL28850637 0.96 HTR6 (0.52) HTR6CA12CA1CA2CA9
SCHEMBL28198594 0.92 HTR6 (0.52) HTR6CA12CA1CA2CA9
SCHEMBL164409 0.87 HTR6 (0.70) HTR6CA12CA1CA2CA9
SCHEMBL197508 0.87 HTR6 (0.78) HTR6CA12CA1CA2CA9
(Phenylsulfonyl)Benzene SCHEMBL28196220 0.84 HTR6 (0.74) HTR6CA12CA1CA2CA9
SCHEMBL3026340 0.84 HTR6 (0.74) HTR6CA12CA1CA2CA9
SCHEMBL9001233 0.82 HTR6 (0.68) HTR6CA12CA1CA2CA9
SCHEMBL18194389 0.82 HTR6 (0.68) HTR6CA12CA1CA2CA9
SCHEMBL28722110 0.82 GAA (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL27401824 0.81 HTR6 (0.50) HTR6CA12CA1CA2CA9

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-1104413-C Phenylalkylcarboxylic acid derivatives SANKYO CO (JP) 2003-04-02 CN disclosed
CN-1219927-A Phenylalkylcarboxylic acid derivatives SANKYO CO (JP) 1999-06-16 CN disclosed