SCHEMBL10434846

SCHEMBL10434846

CCOCc1cccc(OCOC)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
MAOB P27338 9/20 0.44
SOD1 P00441 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
BCHE P06276 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL21116575 0.86 IDO1 (0.50) FFAR1IDO1AGXTMAOBKDM4E
SCHEMBL14117318 0.82 KDM4E (0.56) FFAR1IDO1AGXTMAOBSOD1
SCHEMBL12093572 0.82 IDO1 (0.65) IDO1AGXTMAOBKDM4EALDH1A1
SCHEMBL13790823 0.82 PPARA (0.54) FFAR1MAOBKDM4E
SCHEMBL3907363 0.80 FFAR1 (0.56) FFAR1MAOB
SCHEMBL465063 0.79 TAAR1 (0.47) FFAR1MAOBKDM4EALDH1A1
SCHEMBL11964290 0.79 TP53 (0.53) IDO1AGXTMAOBKDM4EALDH1A1
SCHEMBL28272115 0.79 MAOB (0.63) FFAR1MAOBBCHE
SCHEMBL7934955 0.79 KCNH2 (0.48) FFAR1MAOBSOD1KDM4EALDH1A1
SCHEMBL6198914 0.78 CYP4F2 (0.51) FFAR1MAOBBCHE

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
EP-0375368-A2 Alcohol and ether derivatives ZENECA LIMITED (GB) 1990-06-27 EP disclosed