SCHEMBL9101015

SCHEMBL9101015

Cc1ccc(S(=O)(=O)O)cc1C1CCCCC1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 6/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
CNR2 P34972 5/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL658620 0.83 ALDH1A1 (0.40) TDP1ALDH1A1MAPTKMT2APKM
SCHEMBL7100553 0.82 ALDH1A1 (0.39) TDP1ALDH1A1MAPTKMT2ATSHR
SCHEMBL780174 0.81 ALDH1A1 (0.38) TDP1ALDH1A1MAPTKMT2ATSHR
SCHEMBL8076428 0.80 ALDH1A1 (0.37) TDP1ALDH1A1MAPTKMT2APKM
SCHEMBL656155 0.80 PTGS2 (0.42) TDP1ALDH1A1MAPTKMT2ATSHR
SCHEMBL8763566 0.78 ALDH1A1 (0.43) TDP1ALDH1A1MAPTPKMTHRB
SCHEMBL9101004 0.76 EPHX2 (0.37) ALDH1A1KMT2ATSHRMEN1MCOLN3
SCHEMBL29104732 0.75 CA1 (0.41) TDP1ALDH1A1MAPTKMT2ATSHR
SCHEMBL9100947 0.71 PPIA (0.36) ALDH1A1MAPTKMT2ATSHRMEN1
SCHEMBL16461465 0.70 KMT2A (0.38) ALDH1A1MAPTKMT2ATSHRMEN1

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-5489501-A MIXTURES OF TWO COORDINATION COMPOUNDS WHICH REACT TO FORM NEW COORDINATION COMPOUND WHILE CAUSING VISIBLE COLOR CHANGES RICOH COMPANY, LTD. (JP) 1996-02-06 US disclosed
US-5446011-A Imagewise coloring when heating; mixture of n-substituted indole, aromatic polyhydroxy compound, carbonyl compound and an acid RICOH COMPANY, LTD. (JP) 1995-08-29 US disclosed