SCHEMBL16468693

SCHEMBL16468693

Cc1cc(S(=O)(=O)O)cc(C)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
CYP3A4 P08684 3/20 0.45
ACHE P22303 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
PHLPP2 Q6ZVD8 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.39
NOTUM Q6P988 1/20 0.38
ING2 Q9H160 1/20 0.38
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6652608 0.88 LCK (0.47) LCKFYNCYP3A4ACHEMAPT
SCHEMBL30153423 0.81 CYP3A4 (0.44) LCKFYNCYP3A4ACHEMAPT
SCHEMBL28456181 0.80 LCK (0.40) LCKFYNCYP3A4ACHEMAPT
SCHEMBL84322 0.77 LCK (0.44) LCKFYNMAPTALDH1A1SMN1; SMN2
SCHEMBL11343478 0.76 PHLPP2 (0.63) LCKFYNCYP3A4ALDH1A1PHLPP2
SCHEMBL10719866 0.75 ING2 (0.52) LCKFYNCYP3A4MAPTALDH1A1
SCHEMBL6531230 0.75 LCK (0.43) LCKFYNMAPTALDH1A1SMN1; SMN2
SCHEMBL2917593 0.74 LCK (0.54) LCKFYNALDH1A1SMN1; SMN2MAPK1
SCHEMBL21870 0.74 KDM4E (0.55) CYP3A4ACHEMAPTALDH1A1SMN1; SMN2
SCHEMBL377596 0.74 KDM4E (0.55) CYP3A4ACHEMAPTALDH1A1SMN1; SMN2

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-10815421-B2 Flow back aids ETHOX CHEMICALS, LLC (US) 2020-10-27 US disclosed
US-20150047849-A1 FLOW BACK AIDS FIRST NATIONAL BANK OF PENNSYLVANIA 2015-02-19 US disclosed