SCHEMBL8136373

SCHEMBL8136373

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 3/20 0.47
LPAR3 Q9UBY5 3/20 0.47
LPAR1 Q92633 1/20 0.47
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
NR1I2 O75469 2/20 0.42
PTGS2 P35354 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
PGR P06401 1/20 0.42
PDE4D Q08499 1/20 0.42
F7 P08709 3/20 0.41
F3 P13726 3/20 0.41
CYP19A1 P11511 3/20 0.41
MAPT P10636 2/20 0.41
OXER1 Q8TDS5 2/20 0.41
PTGS1 P23219 2/20 0.41

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
SCHEMBL6473641 0.88 FAAH (0.54) ALOX15HSD17B10MAPTLMNARECQL
SCHEMBL9404488 0.88 FAAH (0.54) ALOX15HSD17B10MAPTLMNARECQL
SCHEMBL6473634 0.88 FAAH (0.54) ALOX15HSD17B10MAPTLMNARECQL
SCHEMBL8954842 0.87 ADORA3 (0.39) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL309639 0.87 ADORA3 (0.39) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL2639724 0.87 ADORA3 (0.39) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL30879530 0.87 ADORA3 (0.39) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL2639723 0.87 ADORA3 (0.39) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL2039579 0.87 ADORA3 (0.39) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL309638 0.87 ADORA3 (0.39) LPAR2LPAR3LPAR1ALDH1A1CYP3A4

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-6072077-A COMPUNDS HAVING INTENSIVE MANGO AROMA, FLAVOR INTENSIFYING AND ROUNDING ACTION HAARMANN & REIMER, GMBH (DE) 2000-06-06 US disclosed