SCHEMBL10021980

SCHEMBL10021980

C/C=C/C=C/C=C/C(=O)/C=C/C=C/C=C/C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CNR2 P34972 9/20 0.38
CNR1 P21554 7/20 0.38
PPARG P37231 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
TRPA1 O75762 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL10021973 0.97 ALDH1A1 (0.40) ALDH1A1CNR2CNR1PPARGPPARD
SCHEMBL28417908 0.97 ALDH1A1 (0.40) ALDH1A1CNR2CNR1PPARGPPARD
SCHEMBL18250229 0.91 ALDH1A1 (0.36) ALDH1A1CNR2CNR1PPARGPPARD
SCHEMBL13625553 0.91 ALDH1A1 (0.36) ALDH1A1CNR2CNR1PPARGPPARD
SCHEMBL27568816 0.89 ALDH1A1 (0.38) ALDH1A1CNR2CNR1PPARGPPARD
SCHEMBL14597459 0.82
SCHEMBL8333173 0.80
SCHEMBL8333174 0.80
SCHEMBL17225894 0.79 TSHR (0.44) ALDH1A1CNR2CNR1PPARGPPARD
SCHEMBL4116171 0.79 ALDH1A1 (0.43) ALDH1A1CNR2CNR1PPARGPPARD

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
US-8119041-B2 A polymerizable monomer or polymerizable oligomer and at least a two-photon absorption material containing aliphatic ketone compounds with atleast 2-8 double bonds and two aromatic or heteroaromatic rings FUJIFILM CORPORATION (JP) 2012-02-21 US disclosed