SCHEMBL7755056

SCHEMBL7755056

O=C(O)CCCC=CCCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.57
PPARD Q03181 5/20 0.57
PPARA Q07869 5/20 0.57
TOP1 P11387 4/20 0.57
CYP19A1 P11511 3/20 0.57
KMT2A Q03164 3/20 0.57
F7 P08709 3/20 0.57
F3 P13726 3/20 0.57
ALDH1A1 P00352 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
PTGS1 P23219 2/20 0.57
RXRA P19793 1/20 0.57
OXER1 Q8TDS5 1/20 0.57
MAPT P10636 3/20 0.55
FABP4 P15090 3/20 0.55
BLM P54132 3/20 0.55
HSD17B10 Q99714 3/20 0.55
USP2 O75604 2/20 0.55
LMNA P02545 2/20 0.55
ALOX15 P16050 2/20 0.55

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
SCHEMBL7755043 1.00 PPARG (0.57) PPARGPPARDPPARATOP1CYP19A1
SCHEMBL18092670 0.93 ALDH1A1 (0.68) PPARGPPARDPPARATOP1CYP19A1
SCHEMBL18092672 0.93 ALDH1A1 (0.68) PPARGPPARDPPARATOP1CYP19A1
SCHEMBL19878414 0.93 ALDH1A1 (0.68) PPARGPPARDPPARATOP1CYP19A1
SCHEMBL19890824 0.93 ALDH1A1 (0.68) PPARGPPARDPPARATOP1CYP19A1
SCHEMBL28720631 0.91 PPARG (0.67) PPARGPPARDPPARATOP1CYP19A1
SCHEMBL28720496 0.91 PPARG (0.67) PPARGPPARDPPARATOP1CYP19A1
SCHEMBL28717412 0.91 PPARG (0.67) PPARGPPARDPPARATOP1CYP19A1
SCHEMBL7056891 0.91 PPARG (0.67) PPARGPPARDPPARATOP1CYP19A1
SCHEMBL4446343 0.91 PPARG (0.67) PPARGPPARDPPARATOP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001046115-A1 UNSATURATED FATTY ACIDS AND THEIR USES IN THERAPY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-06-28 WO disclosed
US-4806379-A Process for producing a green leaf essence GENERAL FOODS CORPORATION (US) 1989-02-21 US disclosed
US-4549029-A ORGANOLEPTIC GIVAUDAN CORPORATION (US) 1985-10-22 US disclosed
US-4374051-A ISOPROPENYL- OR ACETYL SUBSTITUTED PYRIDINE DERIVATIVES; REGENERATION OF ESSENTIAL OILS; FLAVORS FIRMENICH SA (CH) 1983-02-15 US disclosed