SCHEMBL1109971

SCHEMBL1109971

CCCCCCCCC(F)(CC)CO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.45
LPAR1 Q92633 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
FAAH O00519 7/20 0.39
CES1 P23141 5/20 0.39
GGPS1 O95749 3/20 0.39
CYP1A2 P05177 1/20 0.39
FDPS P14324 4/20 0.38

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
SCHEMBL29108806 0.84 LMNA (0.56) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL20806961 0.79 CES2 (0.42) CES2LPAR1LPAR3HSD17B10MEN1
SCHEMBL1109968 0.77 CES2 (0.45) CES2LPAR1LPAR3HSD17B10MEN1
SCHEMBL21061110 0.76 CES2 (0.48) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL21060868 0.76 CES2 (0.48) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL15508644 0.75 CES2 (0.46) CES2LPAR1LPAR3HSD17B10MEN1
SCHEMBL21505107 0.75 CES2 (0.46) CES2LPAR1LPAR3HSD17B10MEN1
SCHEMBL17830626 0.74 CES2 (0.47) CES2LPAR1LPAR3LMNAHSD17B10
Hydrochloric Acid SCHEMBL9344514 0.74 CES2 (0.47) CES2LPAR1LPAR3HSD17B10MEN1
SCHEMBL12491443 0.74 FDPS (0.43) LMNAHSD17B10MEN1KMT2AALDH1A1

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-2280009-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2011-02-02 EP disclosed