SCHEMBL9101762

SCHEMBL9101762

CC(c1ccccc1)c1ccccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SRC P12931 1/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP12 P39900 2/20 0.40
MMP13 P45452 2/20 0.40
MMP14 P50281 2/20 0.40

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
SCHEMBL8365824 0.86 TYR (0.42) TYRKMT2AALDH1A1MAPTKDM4E
SCHEMBL8367583 0.84 TYR (0.41) TYRKMT2AALDH1A1MAPTKDM4E
SCHEMBL8370555 0.84 TYR (0.41) TYRKMT2AALDH1A1MAPTKDM4E
Benzene SCHEMBL27770108 0.82 HSD11B1 (0.46) KMT2ALMNAPOLBHPGDMMP1
SCHEMBL5189158 0.82 ATM (0.42) TYRKMT2AALDH1A1MAPTKDM4E
SCHEMBL4661687 0.81 PTGES2 (0.48) TYRCYP2C9PTGES2
SCHEMBL4662839 0.81 PTGES2 (0.48) TYRCYP2C9PTGES2
SCHEMBL28266011 0.81 PTGES2 (0.48) TYRCYP2C9PTGES2
SCHEMBL27741676 0.81 SRC (0.42) KMT2AALDH1A1MAPTKDM4EGMNN
SCHEMBL9098597 0.80 MYC (0.44) KMT2AALDH1A1MAPTKDM4EGMNN

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-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