SCHEMBL18700993

SCHEMBL18700993

COc1c(S(=O)(=O)O)ccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.36
PTGS2 P35354 5/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACLY P53396 1/20 0.34
FABP4 P15090 1/20 0.33
MEP1B Q16820 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
KRAS P01116 2/20 0.32

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
SCHEMBL18700974 0.82 LMNA (0.40) TET2PTGS2ALDH1A1MEN1KMT2A
SCHEMBL15189949 0.81 TRPV4 (0.47) PTGS2ALDH1A1MEN1KMT2AHTT
SCHEMBL20965607 0.78 ALDH1A1 (0.34) ALDH1A1KMT2AFABP4LMNACES2
SCHEMBL18700967 0.78 KRAS (0.41) ALDH1A1KMT2APKMKRASLMNA
Hydrochloric Acid SCHEMBL28247004 0.76 KRAS (0.40) ALDH1A1KMT2APKMKRASLMNA
SCHEMBL29351017 0.76 CES2 (0.43) TET2ALDH1A1MEN1KMT2AHTT
SCHEMBL3712172 0.76 CES2 (0.43) TET2ALDH1A1MEN1KMT2AHTT
SCHEMBL29054342 0.74 TET2 (0.41) TET2ALDH1A1MEN1KMT2AFABP4
Hydrochloric Acid SCHEMBL27456921 0.74 LMNA (0.42) TET2ALDH1A1MEN1KMT2AHTT
SCHEMBL7269471 0.73 MAPT (0.46) ALDH1A1KMT2ATRPV4LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10365262-B2 Method of monitoring a parameter of a hydrocarbon well, pipeline or formation JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-07-30 US disclosed
US-20180284096-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION TRACERCO LIMITED (GB) 2018-10-04 US disclosed
WO-2017060702-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-04-13 WO disclosed