SCHEMBL11057147

SCHEMBL11057147

C=C(C)C(=O)OC(CCCCCCCC)C(CC)CCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
FAAH O00519 1/20 0.38
GPR84 Q9NQS5 7/20 0.36
FFAR1 O14842 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
MAPT P10636 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
LMNA P02545 2/20 0.34
CA2 P00918 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL27762096 0.89 TSHR (0.42) TSHRFAAHGPR84FFAR1ZDHHC7
SCHEMBL17358266 0.89 TSHR (0.55) TSHRFAAHGPR84FFAR1ZDHHC7
SCHEMBL6553011 0.87 TSHR (0.42) TSHRCA2
SCHEMBL6670156 0.84 TSHR (0.40) TSHRMAPTLMNACA2
SCHEMBL17358268 0.84 TSHR (0.50) TSHRFAAHGPR84FFAR1ZDHHC7
SCHEMBL22231312 0.83 ALDH1A1 (0.39) TSHRLMNA
SCHEMBL17358267 0.83 TSHR (0.46) TSHRFAAHGPR84FFAR1ZDHHC7
Hydrochloric Acid SCHEMBL7111364 0.83 TSHR (0.53) TSHRFAAHGPR84FFAR1ZDHHC7
SCHEMBL9139954 0.83 TSHR (0.49) TSHRFAAHGPR84LMNATRPV1
SCHEMBL17358264 0.83 TSHR (0.49) TSHRFAAHGPR84FFAR1MAPT

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-4440659-A GRAFT POLYMER OF BRIGHT STOCK, AN ALKYL ACRYLATE, MALEIC ANHYDRIDE AND AN AMINE ETHYL CORPORATION (US) 1984-04-03 US disclosed