SCHEMBL5237181

SCHEMBL5237181

CC(C)c1ccccc1C(=O)O.COC(=O)c1ccccc1C(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
CFTR P13569 1/20 0.50
ATM Q13315 2/20 0.49
ALOX15 P16050 2/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 2/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45

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
Hydrogen Peroxide SCHEMBL28473316 0.94 TSHR (0.57) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL254882 0.93 TSHR (0.59) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL29657201 0.87 ALDH1A1 (0.59) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL254364 0.87 ALDH1A1 (0.59) TSHRLMNAKDM4EALDH1A1HSD17B10
Benzene SCHEMBL28132022 0.87 ALDH1A1 (0.59) TSHRLMNAKDM4EALDH1A1HSD17B10
Hydrogen Peroxide SCHEMBL9514730 0.87 ALDH1A1 (0.59) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL28432760 0.85 ALDH1A1 (0.56) TSHRLMNAKDM4EALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL11877644 0.85 ALDH1A1 (0.56) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL4068453 0.84 TSHR (0.50) TSHRLMNAKDM4EALDH1A1HSD17B10
Hydrazine SCHEMBL27571459 0.83 ALDH1A1 (0.54) LMNAKDM4EALDH1A1HSD17B10HPGD

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
EP-1765796-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Inc. (US) 2007-03-28 EP disclosed
WO-2006003495-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-12 WO disclosed