SCHEMBL22048321

SCHEMBL22048321

C=C(O)CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.47
RXRB P28702 6/20 0.47
RXRG P48443 4/20 0.47
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HTR1D P28221 2/20 0.34
ELANE P08246 1/20 0.34
CD69 Q07108 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
GAA P10253 2/20 0.33
EPHX2 P34913 1/20 0.33
HMGCR P04035 1/20 0.33
CYP2C19 P33261 2/20 0.32
HTR1B P28222 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL10561521 0.80 RXRA (0.47) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL9702460 0.80 RXRA (0.70) RXRARXRBRXRGGABRA1GABRB2
Methane SCHEMBL9419508 0.78 RXRA (0.68) RXRARXRBRXRGELANECD69
SCHEMBL8213794 0.78 GABRA1 (0.50) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL27871629 0.78 RXRA (0.53) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL10751069 0.76 RXRA (0.51) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL2387771 0.74 RXRA (0.50) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL6324150 0.74 GABRA1 (0.42) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL29071446 0.73 RXRA (0.60) RXRARXRBRXRGELANECD69
SCHEMBL7918647 0.72 RXRA (0.47) RXRARXRBRXRGGABRA1GABRB2

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
WO-2020109020-A1 ANTIOXIDANT MIXTURE FOR LOW VISCOUS POLYALKYLENE GLYCOL BASESTOCK BASF SE (DE) 2020-06-04 WO disclosed