SCHEMBL17883545

SCHEMBL17883545

COC(=O)CCCCCCC/C=C\CCCCCCC(C)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
EPHX2 P34913 1/20 0.54
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
DGKA P23743 1/20 0.46
TSHR P16473 1/20 0.45
LPAR1 Q92633 6/20 0.44
ENPP2 Q13822 2/20 0.44
LPAR4 Q99677 2/20 0.44
LPAR5 Q9H1C0 2/20 0.44
LPAR2 Q9HBW0 2/20 0.44
LPAR3 Q9UBY5 2/20 0.44
CES2 O00748 1/20 0.44
LPAR6 P43657 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL17883546 1.00 ALDH1A1 (0.54) ALDH1A1LMNAEPHX2MAPTL3MBTL1
SCHEMBL19331715 0.97 ALDH1A1 (0.50) ALDH1A1LMNAEPHX2MAPTL3MBTL1
SCHEMBL19331760 0.97 ALDH1A1 (0.54) ALDH1A1LMNAEPHX2MAPTL3MBTL1
SCHEMBL19331675 0.93 ALDH1A1 (0.50) ALDH1A1LMNAEPHX2MAPTL3MBTL1
SCHEMBL17883542 0.89 TSHR (0.56) ALDH1A1LMNAEPHX2MAPTL3MBTL1
SCHEMBL28301810 0.89 TSHR (0.56) ALDH1A1LMNAEPHX2MAPTL3MBTL1
SCHEMBL15994316 0.89 TSHR (0.56) ALDH1A1LMNAEPHX2MAPTL3MBTL1
SCHEMBL15216418 0.89 TSHR (0.56) ALDH1A1LMNAEPHX2MAPTL3MBTL1
SCHEMBL10081546 0.88 L3MBTL1 (0.56) ALDH1A1LMNAEPHX2L3MBTL1DGKA
SCHEMBL10081542 0.88 ALDH1A1 (0.56) ALDH1A1LMNAEPHX2L3MBTL1DGKA

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-9382566-B1 Fermentative production of sophorolipids from soybean and other vegetable oils THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2016-07-05 US disclosed