SCHEMBL7294244

SCHEMBL7294244

CCCCC=CCC=CCC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.53
ALDH1A1 P00352 5/20 0.53
PPARD Q03181 4/20 0.53
PPARA Q07869 4/20 0.53
KDM4E B2RXH2 4/20 0.53
F7 P08709 4/20 0.53
F3 P13726 4/20 0.53
FFAR1 O14842 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP19A1 P11511 2/20 0.53
FABP4 P15090 2/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 2/20 0.53
NR4A2 P43354 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
PTGS1 P23219 2/20 0.53
AKR1C3 P42330 2/20 0.53

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
SCHEMBL18350998 0.94 PPARG (0.61) PPARGALDH1A1PPARDPPARAKDM4E
SCHEMBL17322184 0.94 F7 (0.52) PPARGALDH1A1PPARDPPARAKDM4E
SCHEMBL7284959 0.94 F7 (0.52) PPARGALDH1A1PPARDPPARAKDM4E
SCHEMBL7298676 0.92 ALDH1A1 (0.62) PPARGALDH1A1PPARDPPARAKDM4E
SCHEMBL11857550 0.87 FAAH (0.55) PPARGPPARDPPARAF7F3
SCHEMBL6641866 0.87 FAAH (0.55) PPARGPPARDPPARAF7F3
SCHEMBL9614464 0.85 FAAH (0.59) PPARGPPARDPPARAF7F3
SCHEMBL9614461 0.85 FAAH (0.59) PPARGPPARDPPARAF7F3
SCHEMBL10563116 0.85 FAAH (0.59) PPARGPPARDPPARAF7F3
SCHEMBL10905226 0.85 FAAH (0.59) PPARGPPARDPPARAF7F3

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-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed