SCHEMBL20712893

SCHEMBL20712893

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.42
GAPDH P04406 2/20 0.37
CMKLR1 Q99788 1/20 0.34
PPARG P37231 2/20 0.33
TRPA1 O75762 2/20 0.33
GPR132 Q9UNW8 1/20 0.33
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
ALOX5 P09917 1/20 0.32
DDAH1 O94760 1/20 0.31
OXER1 Q8TDS5 2/20 0.31

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
SCHEMBL13819130 0.81 GAPDH (0.56) FPR2GAPDHCMKLR1PPARGTRPA1
SCHEMBL16235732 0.81 GAPDH (0.56) FPR2GAPDHCMKLR1PPARGTRPA1
SCHEMBL16235730 0.81 GAPDH (0.56) FPR2GAPDHCMKLR1PPARGTRPA1
SCHEMBL13569836 0.76 FPR2 (0.67) FPR2GAPDHCMKLR1PPARGALDH1A1
SCHEMBL5868323 0.76 FPR2 (0.49) FPR2GAPDHCMKLR1PPARGTRPA1
SCHEMBL12380534 0.76 FPR2 (0.67) FPR2GAPDHCMKLR1PPARGALDH1A1
SCHEMBL5868324 0.76 FPR2 (0.49) FPR2GAPDHCMKLR1PPARGTRPA1
SCHEMBL3273794 0.73
SCHEMBL3273792 0.73
SCHEMBL6239938 0.70 FPR2 (0.36) FPR2PPARGTRPA1

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-2019027877-A1 CRYPTIC METABOLITES AND METHOD FOR ACTIVATING SILENT BIOSYNTHETIC GENE CLUSTERS IN DIVERSE MICROORGANISMS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2019-02-07 WO disclosed