SCHEMBL27698103

SCHEMBL27698103

CC(=O)OC(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
LMNA P02545 2/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
BCAT1 P54687 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL28635736 0.87 TSHR (0.47) TSHRLMNAHSD17B10ALDH1A1CA12
SCHEMBL27948846 0.86 TSHR (0.47) TSHRLMNAHSD17B10ALDH1A1CA12
SCHEMBL9808496 0.85 TSHR (0.46) TSHRLMNAHSD17B10ALDH1A1CA12
SCHEMBL787248 0.84 TSHR (0.44) TSHRLMNAHSD17B10ALDH1A1CA12
SCHEMBL27584031 0.84 CA1 (0.43) TSHRLMNAHSD17B10ALDH1A1CA12
SCHEMBL5872395 0.83 LMNA (0.45) TSHRLMNAHSD17B10ALDH1A1CA12
SCHEMBL28023655 0.82 TSHR (0.50) TSHRLMNAHSD17B10ALDH1A1CA12
SCHEMBL11381264 0.82 TSHR (0.40) TSHRLMNAHSD17B10ALDH1A1CYP3A4
SCHEMBL27562386 0.81 MAOB (0.54) LMNACA12CA1CA2CA9
SCHEMBL27593311 0.80 TSHR (0.49) TSHRLMNAHSD17B10ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101649203-B Stabilization of organic materials CIBA SC HOLDING AG 2013-12-18 CN disclosed
CN-102149736-A Catalyst for polymerizing olefins and process thereof BASELL POLIOLEFINE SRL 2011-08-10 CN disclosed
CN-101649203-A Stabilization of organic materials CIBA SC HOLDING AG CH 2010-02-17 CN disclosed
CN-101023128-A Stabilization of organic materials CIBA SC HOLDING AG (CH) 2007-08-22 CN disclosed