SCHEMBL5886663

SCHEMBL5886663

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC1OC1CCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
CNR1 P21554 4/20 0.53
CNR2 P34972 4/20 0.53
ALDH1A1 P00352 6/20 0.51
CYP19A1 P11511 4/20 0.51
OXER1 Q8TDS5 4/20 0.51
PPARG P37231 3/20 0.51
RXRA P19793 2/20 0.51
FFAR1 O14842 2/20 0.51
PTGS1 P23219 4/20 0.49
F7 P08709 3/20 0.49
F3 P13726 3/20 0.49
KMT2A Q03164 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL16417145 1.00 MAPT (0.58) MAPTCNR1CNR2ALDH1A1CYP19A1
SCHEMBL653863 0.91 MAPT (0.63) MAPTCNR1CNR2ALDH1A1CYP19A1
SCHEMBL15592925 0.90 MAPT (0.56) MAPTCNR1CNR2ALDH1A1CYP19A1
SCHEMBL5374521 0.88 MAPT (0.60) MAPTCNR1CNR2ALDH1A1CYP19A1
SCHEMBL3742738 0.88 MAPT (0.60) MAPTCNR1CNR2ALDH1A1CYP19A1
SCHEMBL3742740 0.88 MAPT (0.60) MAPTCNR1CNR2ALDH1A1CYP19A1
SCHEMBL3407185 0.87 ALDH1A1 (0.71) MAPTCNR1CNR2ALDH1A1CYP19A1
SCHEMBL3407181 0.87 ALDH1A1 (0.71) MAPTCNR1CNR2ALDH1A1CYP19A1
SCHEMBL22451075 0.87 ALDH1A1 (0.71) MAPTCNR1CNR2ALDH1A1CYP19A1
SCHEMBL3408523 0.87 ALDH1A1 (0.71) MAPTCNR1CNR2ALDH1A1CYP19A1

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-3377056-B1 STABLE ANALOGS OF CYP450 LIPID METABOLITES AND INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE MASSACHUSETTS EYE & EAR INFIRMARY (US) 2020-09-23 EP disclosed
US-7091369-B2 Synthesis of polyconjugated fatty acids BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2006-08-15 US disclosed
US-20050014826-A1 Synthesis of polyconjugated fatty acids THE BOARD OF TRUSTEES OPERATING MICHIGAN STATUE UNIVERSITY (US) 2005-01-20 US disclosed