SCHEMBL19293117

SCHEMBL19293117

C=C(C)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
CYP19A1 P11511 4/20 0.57
MAPT P10636 4/20 0.57
PPARG P37231 3/20 0.57
OXER1 Q8TDS5 3/20 0.57
RXRA P19793 2/20 0.57
FFAR1 O14842 2/20 0.57
F7 P08709 3/20 0.48
F3 P13726 3/20 0.48
PPARA Q07869 3/20 0.48
PTGS1 P23219 3/20 0.48
KMT2A Q03164 2/20 0.48
PPARD Q03181 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
FAAH O00519 1/20 0.46
CNR1 P21554 1/20 0.46
NR1I2 O75469 2/20 0.46
PTGS2 P35354 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 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
SCHEMBL8852428 0.93
SCHEMBL18737628 0.87 ALDH1A1 (0.60) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL19293251 0.87 ALDH1A1 (0.60) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL8978596 0.79 ALDH1A1 (0.50) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL29012406 0.79 ALDH1A1 (0.34) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL6550083 0.78 TSHR (0.35) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL9880636 0.77 ALDH1A1 (0.69) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL8996396 0.77 ALDH1A1 (0.69) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL10822294 0.77 ALDH1A1 (0.69) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL10983586 0.77 ALDH1A1 (0.69) ALDH1A1CYP19A1MAPTPPARGOXER1

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-3210972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) Catabasis Pharmaceuticals, Inc. (US) 2017-08-30 EP disclosed