SCHEMBL28797366

SCHEMBL28797366

COc1cc(OC=O)cc(OC)c1CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPR17 Q13304 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
FFAR1 O14842 3/20 0.38
S1PR1 P21453 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL491024 0.85 POLB (0.50) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL146097 0.81 ALDH1A1 (0.47) POLBALDH1A1HPGDLTB4RLTB4R2
SCHEMBL29140671 0.78 ALDH1A1 (0.46) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4257732 0.78 POLB (0.50) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL145533 0.76 TSHR (0.50) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27718239 0.75 NPSR1 (0.44) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27986455 0.73 CYP3A4 (0.49) LMNA
SCHEMBL27985499 0.72 ABL1 (0.48) POLBKDM4EHPGDLMNAMAPT
SCHEMBL28413351 0.72 POLB (0.44) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7193907 0.71 CYP2D6 (0.57) LMNA

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-102458405-A Novel anti-inflammatory agents RESVERLOGIX CORP 2012-05-16 CN disclosed