SCHEMBL9899581

SCHEMBL9899581

CCCc1ccc(CC(C)OO)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
ACACB O00763 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 2/20 0.40
PLK1 P53350 1/20 0.39
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PLA2G1B P04054 1/20 0.37
KMT2A Q03164 1/20 0.37
ATG4B Q9Y4P1 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
SCHEMBL7703745 0.87 TAAR1 (0.43) SIGMAR1LMNA
SCHEMBL9897167 0.82 SIGMAR1 (0.39) SIGMAR1PPARGPPARACNR1CNR2
SCHEMBL9175395 0.81 SRR (0.42) PPARGPPARALMNA
SCHEMBL9497974 0.79 TAAR1 (0.57) SIGMAR1
SCHEMBL9898783 0.79 TRPA1 (0.38) SIGMAR1LMNA
SCHEMBL9771947 0.79 TAAR1 (0.54) SIGMAR1
SCHEMBL9492753 0.78 IDO1 (0.48) ACACBL3MBTL1LMNAKMT2A
SCHEMBL8534643 0.77 LPL (0.48) SIGMAR1PPARGPPARALPLLIPG
SCHEMBL5024911 0.76 SIGMAR1 (0.49) SIGMAR1LPLLIPGACACBLMNA
SCHEMBL12090708 0.76 LPL (0.44) LPLLIPGACACBL3MBTL1THRB

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-2468723-A1 METHOD FOR HANDLING AN AQUEOUS SOLUTION CONTAINING A WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDES, AND METHOD FOR MANUFACTURING HYDROXYBENZENES Sumitomo Chemical Company, Limited (JP) 2012-06-27 EP disclosed
US-20120149942-A1 METHOD FOR HANDLING AQUEOUS SOLUTION CONTAINING WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDE, AND METHOD FOR MANUFACTURING HYDROXYBENZENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-14 US disclosed