SCHEMBL9017748

SCHEMBL9017748

CC(C)(c1ccc(S(C)(=O)=O)cc1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.47
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
PTPN1 P18031 1/20 0.43
PTGS2 P35354 3/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
KIF11 P52732 1/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL4804971 0.80 HSD11B1 (0.57) PTPN1KMT2A
SCHEMBL9502470 0.77 PTPN5 (0.50) PTPN1PGK1PGK2KIF11
SCHEMBL9720805 0.77 ENPP2 (0.42) ENPP2EPHX2NR1H4PTPN1PTGS2
SCHEMBL23893664 0.75 ENPP2 (0.54) ENPP2EPHX2NR1H4PTGS2ALDH1A1
SCHEMBL13239460 0.75 ENPP2 (0.54) ENPP2EPHX2NR1H4PTGS2ALDH1A1
SCHEMBL11759829 0.75 TSHR (0.48) PTPN1ALDH1A1KMT2APGK1PGK2
SCHEMBL8999640 0.75 ESR1 (0.52) ALDH1A1KMT2APGK1PGK2
SCHEMBL1107981 0.74 ALDH1A1 (0.64) ENPP2EPHX2NR1H4PTGS2ALDH1A1
SCHEMBL17923871 0.74 PGK1 (0.46) PTPN1KMT2APGK1PGK2
SCHEMBL2637396 0.74 FDPS (0.47) EPHX2PTPN1ALDH1A1KMT2APGK1

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-5501821-A OPTICAL ARTICLES FOR TRANSMISSION OF ELECTROMAGNETIC WAVES WITH DIPOLES EASTMAN KODAK COMPANY (US) 1996-03-26 US disclosed