SCHEMBL298040

SCHEMBL298040

C=CC(C)Oc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MDM2 Q00987 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NT5E P21589 1/20 0.38
POLB P06746 2/20 0.37
CYP2D6 P10635 1/20 0.37
FFAR4 Q5NUL3 1/20 0.35
ALDH1A3 P47895 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34

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
SCHEMBL13368922 0.83 ALDH1A1 (0.38) TDP1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL11154024 0.80 KMT2A (0.52) TSHRLMNAALDH1A1SMN1; SMN2NT5E
Hydrochloric Acid SCHEMBL28180452 0.78 KMT2A (0.50) TSHRLMNAALDH1A1SMN1; SMN2NT5E
SCHEMBL27395643 0.78 KMT2A (0.50) TSHRLMNAALDH1A1SMN1; SMN2NT5E
SCHEMBL1217130 0.78 LMNA (0.45) TDP1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL23208276 0.77 LMNA (0.43) TDP1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL10358966 0.76 ESR2 (0.41) ALDH1A3KMT2A
SCHEMBL3754366 0.76 TSHR (0.46) TDP1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL11966972 0.74 MAPT (0.52) LMNAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL9193031 0.74 KMT2A (0.65) TSHRALDH1A1SMN1; SMN2TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4101621-A ACRYLONITRILE, VINYL CHLORIDE OR VINYLIDENE CHLORIDE, SOLUTION POLYMERIZATION KANEBO, LTD. (JP) 1978-07-18 US claimed
EP-1543763-B1 Ingredient dispenser for automatic dishwashers UNILEVER NV (NL) 2012-03-14 EP disclosed
EP-1328611-B1 DISH-WASHING COMPOSITIONS UNILEVER PLC (GB) 2005-12-28 EP disclosed
EP-1543763-A1 Ingredient dispenser for automatic dishwashers UNILEVER N.V. (NL) 2005-06-22 EP disclosed
EP-1328611-A1 DISH-WASHING COMPOSITIONS UNILEVER PLC (GB) 2003-07-23 EP disclosed
WO-2002034869-A1 DISH-WASHING COMPOSITIONS UNILEVER PLC (GB) 2002-05-02 WO disclosed
EP-1197546-A1 Unit dose cleaning product UNILEVER PLC (GB) 2002-04-17 EP disclosed