SCHEMBL18017352

SCHEMBL18017352

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
OXER1 Q8TDS5 5/20 0.45
CYP19A1 P11511 4/20 0.45
MAPT P10636 4/20 0.45
PPARG P37231 3/20 0.45
RXRA P19793 2/20 0.45
FFAR1 O14842 2/20 0.45
CNR1 P21554 2/20 0.44
FAAH O00519 1/20 0.44
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
PPARA Q07869 3/20 0.42
PTGS1 P23219 3/20 0.42
KMT2A Q03164 2/20 0.42
PPARD Q03181 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL10584847 0.93
SCHEMBL12267828 0.93
SCHEMBL18032927 0.79 ALDH1A1 (0.64) ALDH1A1OXER1CYP19A1MAPTPPARG
SCHEMBL24450981 0.76 ALDH1A1 (0.40) ALDH1A1OXER1CYP19A1MAPTPPARG
SCHEMBL15951430 0.76 CNR1 (0.70) ALDH1A1MAPTCNR1FAAHKMT2A
SCHEMBL17643423 0.76 CNR1 (0.66) ALDH1A1OXER1CYP19A1MAPTPPARG
SCHEMBL17319385 0.75 CNR1 (0.50) ALDH1A1OXER1CYP19A1MAPTPPARG
SCHEMBL7625812 0.75 ALDH1A1 (0.61) ALDH1A1OXER1CYP19A1MAPTPPARG
SCHEMBL15223579 0.75 ALDH1A1 (0.50) ALDH1A1OXER1CYP19A1MAPTPPARG
SCHEMBL13819787 0.75 ALDH1A1 (0.50) ALDH1A1OXER1CYP19A1MAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9982117-B2 Thermoset rubber reinforced by supramolecule building blocks THE UNIVERSITY OF AKRON (US) 2018-05-29 US disclosed
US-20160237261-A1 THERMOSET RUBBER REINFORCED BY SUPRAMOLECULE BUILDING BLOCKS THE UNIVERSITY OF AKRON 2016-08-18 US disclosed