SCHEMBL2916013

SCHEMBL2916013

O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(O)onc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 3/20 0.71
UGT1A1 P22309 1/20 0.71
UGT1A3 P35503 1/20 0.71
UGT1A8 Q9HAW9 1/20 0.71
FFAR1 O14842 8/20 0.41
FOS P01100 2/20 0.37
RXRG P48443 4/20 0.34
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
DRD4 P21917 1/20 0.32
ADRA1D P25100 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL305411 0.88 JUN (0.75) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL668045 0.85 JUN (0.72) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL966228 0.85 JUN (0.66) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL2967226 0.84 JUN (0.69) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL669409 0.84 JUN (0.65) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL22528644 0.83 JUN (1.00) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL2956891 0.82 JUN (0.67) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL2960859 0.82 JUN (0.69) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL2960667 0.81 JUN (0.68) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL1100281 0.80 JUN (0.64) JUNUGT1A1UGT1A3UGT1A8FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266557-B1 COMBINATION OF BENZOPHENONE DERIVATIVE OR SALT THEREOF AND IMMUNOSUPPRESSING AGENT, AND PHARMACEUTICAL COMPOSITION COMPRISING THESE COMPONENTS TOYAMA CHEMICAL CO LTD (JP) 2013-08-14 EP claimed
EP-2022788-B1 NOVEL CRYSTAL OF 3-[5-[4-(CYCLOPENTYLOXY)-2- HYDROXYBENZOYL]-2-[(3-HYDROXY-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONIC ACID TOYAMA CHEMICAL CO LTD (JP) 2010-09-01 EP disclosed