SCHEMBL8622045

SCHEMBL8622045

CON=C(C)C(=O)Oc1cccc(COc2ccccc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.47
FFAR4 Q5NUL3 2/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
HIF1A Q16665 1/20 0.42
MRGPRX4 Q96LA9 5/20 0.42
HTR1A P08908 2/20 0.42
ABCB1 P08183 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MAOB P27338 1/20 0.39
MTNR1A P48039 1/20 0.39

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
SCHEMBL8619451 0.87 RXRA (0.53) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL8617222 0.80 CDK4 (0.44) FFAR4RXRARXRBRXRGMAOB
SCHEMBL9777771 0.78 RXRA (0.49) RXRARXRBRXRGHIF1AMRGPRX4
SCHEMBL12301142 0.76 ABCB1 (0.67) HTR1AABCB1DRD2ADRA1DADRA1A
SCHEMBL8618929 0.74 MRGPRX4 (0.55) RXRARXRBRXRGMRGPRX4
SCHEMBL8618926 0.74 MRGPRX4 (0.55) RXRARXRBRXRGMRGPRX4
SCHEMBL8622477 0.74 L3MBTL1 (0.46) HIF1AHTR1AADRA1DADRA1AADRA1B
SCHEMBL8624710 0.74 MRGPRX4 (0.51) RXRARXRBRXRGMRGPRX4
SCHEMBL8624707 0.74 MRGPRX4 (0.51) RXRARXRBRXRGMRGPRX4
SCHEMBL8618317 0.73 PTPN1 (0.43) HIF1AHTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed