SCHEMBL8895043

SCHEMBL8895043

[CH2]CC(=O)OCCc1ccc(C(C)(C)C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
KDM4E B2RXH2 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
LMNA P02545 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3364293 0.79 ESRRG (0.43) EPHX2RXRARXRBNR1H4LMNA
SCHEMBL8894269 0.76 SMN1; SMN2 (0.54) RXRARXRBKDM4ELMNACYP2C19
SCHEMBL23402375 0.74 HTR1D (0.44) EPHX2RXRARXRBNR1H4KDM4E
SCHEMBL2365058 0.73 KDM4E (0.39) EPHX2RXRARXRBNR1H4KDM4E
SCHEMBL15369564 0.72 KDM4E (0.40) EPHX2RXRARXRBNR1H4KDM4E
SCHEMBL23400064 0.72 HTR1D (0.42) EPHX2RXRARXRBNR1H4KDM4E
SCHEMBL15800261 0.71 HTR1D (0.44) EPHX2RXRARXRBNR1H4KDM4E
SCHEMBL3366761 0.69 SMN1; SMN2 (0.51) RXRARXRBLMNAKMT2AMEN1
SCHEMBL26802829 0.69 HTR1D (0.45) EPHX2RXRARXRBNR1H4KDM4E
SCHEMBL8580573 0.68 RXRA (0.71) EPHX2RXRARXRBNR1H4ADRA2A

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed