SCHEMBL30540945

SCHEMBL30540945

CCOC(=O)CCc1cccc(-c2ccc(C)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.55
SYK P43405 6/20 0.54
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
BCL2 P10415 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
LIPG Q9Y5X9 1/20 0.44

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
SCHEMBL8903063 0.91 TDP1 (0.56) FFAR1SYKCYP4F2CYP4A11BCL2
SCHEMBL9444904 0.85 SYK (0.49) FFAR1SYKCYP4F2CYP4A11TDP1
SCHEMBL4425984 0.85 CYP4F2 (0.64) SYKCYP4F2CYP4A11TDP1
SCHEMBL879289 0.83 CYP4F2 (0.58) SYKCYP4F2CYP4A11TDP1
SCHEMBL21476713 0.83 FFAR1 (0.64) FFAR1SYKCYP4F2CYP4A11
SCHEMBL30671117 0.82 FFAR1 (0.71) FFAR1SYKBCL2LIPG
SCHEMBL8567926 0.82 CYP4F2 (0.57) FFAR1SYKCYP4F2CYP4A11HRH3
SCHEMBL27382320 0.82 ALOX5 (0.55) SYKCYP4F2CYP4A11
SCHEMBL21475923 0.81 HTR7 (0.57) FFAR1SYKCYP4F2CYP4A11TDP1
SCHEMBL10508352 0.81 CYP4F2 (0.49) SYKCYP4F2CYP4A11TDP1

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
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN claimed