SCHEMBL9831971

SCHEMBL9831971

C=Cc1ccccc1C(C)=O.C=Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
BCAT2 O15382 1/20 0.36
MYC P01106 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
KLK7 P49862 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA5A P35218 1/20 0.34
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL24220 0.85 CYP3A4 (0.42) ALDH1A1KDM4ELMNACA1CA2
SCHEMBL29361804 0.85 TDP1 (0.44) TDP1MYCALDH1A1LMNASLC9A1
SCHEMBL15000 0.85 TDP1 (0.44) TDP1MYCALDH1A1LMNASLC9A1
SCHEMBL29982561 0.85 CYP3A4 (0.42) ALDH1A1KDM4ELMNACA1CA2
Formaldehyde SCHEMBL10338469 0.83 TDP1 (0.43) TDP1MYCALDH1A1LMNASLC9A1
SCHEMBL2438058 0.83 TDP1 (0.43) TDP1MYCALDH1A1SLC9A1CYP2D6
SCHEMBL332205 0.83 TDP1 (0.43) TDP1MYCALDH1A1LMNASLC9A1
SCHEMBL313313 0.83 TDP1 (0.43) TDP1MYCALDH1A1LMNASLC9A1
SCHEMBL1806020 0.83 TDP1 (0.43) TDP1MYCALDH1A1LMNASLC9A1
Ammonia Solution, Strong SCHEMBL142076 0.83 TDP1 (0.43) TDP1MYCALDH1A1LMNASLC9A1

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
EP-0217353-B1 SILVER HALIDE COLOR PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1991-01-16 EP disclosed