SCHEMBL1302883

SCHEMBL1302883

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
MAPT P10636 3/20 0.59
USP2 O75604 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 2/20 0.59
RECQL P46063 1/20 0.59
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.50
LPAR3 Q9UBY5 2/20 0.46
LPAR2 Q9HBW0 1/20 0.46
TSHR P16473 1/20 0.44
FAAH O00519 1/20 0.43
ABCC4 O15439 1/20 0.42
PTPN1 P18031 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL11492160 1.00 CYP3A4 (0.59) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL1302886 1.00 CYP3A4 (0.59) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL11483481 0.96 CYP3A4 (0.59) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL816892 0.94 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL2838417 0.94 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL8463541 0.94 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL585734 0.94 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL2839053 0.94 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL2837141 0.94 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL2836294 0.94 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA

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-20110266361-A1 PHEROMONE DISPENSER BASF SE (DE) 2011-11-03 US disclosed