SCHEMBL7755030

SCHEMBL7755030

CCC=CCC=CCCCCCI

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
CYP19A1 P11511 4/20 0.55
F7 P08709 3/20 0.55
F3 P13726 3/20 0.55
MAPT P10636 3/20 0.55
OXER1 Q8TDS5 3/20 0.55
PPARG P37231 3/20 0.55
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
PTGS1 P23219 2/20 0.55
KMT2A Q03164 2/20 0.55
PPARD Q03181 2/20 0.55
PPARA Q07869 2/20 0.55
NR1I2 O75469 2/20 0.55
PTGS2 P35354 2/20 0.55
FFAR1 O14842 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 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
SCHEMBL12904055 1.00 ALDH1A1 (0.55) ALDH1A1CYP19A1F7F3MAPT
SCHEMBL7755023 1.00 ALDH1A1 (0.55) ALDH1A1CYP19A1F7F3MAPT
SCHEMBL20553535 1.00 ALDH1A1 (0.55) ALDH1A1CYP19A1F7F3MAPT
SCHEMBL814602 1.00 ALDH1A1 (0.55) ALDH1A1CYP19A1F7F3MAPT
SCHEMBL20553537 1.00 ALDH1A1 (0.55) ALDH1A1CYP19A1F7F3MAPT
SCHEMBL7670664 0.93 ALDH1A1 (0.45) ALDH1A1CYP19A1F7F3MAPT
SCHEMBL31028528 0.93 ALDH1A1 (0.45) ALDH1A1CYP19A1F7F3MAPT
SCHEMBL13154586 0.93 ALDH1A1 (0.45) ALDH1A1CYP19A1F7F3MAPT
SCHEMBL31028530 0.93 ALDH1A1 (0.45) ALDH1A1CYP19A1F7F3MAPT
SCHEMBL20767770 0.91 ALDH1A1 (0.52) ALDH1A1CYP19A1F7F3MAPT

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
WO-2001046115-A1 UNSATURATED FATTY ACIDS AND THEIR USES IN THERAPY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-06-28 WO disclosed