SCHEMBL3463358

SCHEMBL3463358

CCCCCCC1(CCC(=O)O)COC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
KMT2A Q03164 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE4A P27815 1/20 0.48
PDE3A Q14432 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL11727987 0.83 TSHR (0.40) TSHRALDH1A1
SCHEMBL23671744 0.78 ALOX5 (0.44) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL3879820 0.77 AKR1B1 (0.47) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL3463202 0.77 AKR1B1 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL4812045 0.77 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9839764 0.76 EPHX1 (0.43) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL1666638 0.76 EPHX1 (0.43) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL7055433 0.76 EPHX1 (0.43) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL9839214 0.76 EPHX1 (0.43) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL5945176 0.75 TSHR (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256308-A1 PROCESS FOR THE PRODUCTION OF WATER-ABSORBING RESINS AND WATER-ABSORBING RESINS OBTAINED BY THE PROCESS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2010-10-07 US disclosed