SCHEMBL11220169

SCHEMBL11220169

C=CCCC/C=C/CC(=O)OCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
FAAH O00519 1/20 0.40
THRB P10828 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 4/20 0.38
HPGD P15428 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ATM Q13315 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL11220172 1.00 MGLL (0.41) MGLLALDH1A1MAPTFAAHTHRB
SCHEMBL11060418 0.86 NR1I2 (0.47) ALDH1A1MAPTFAAHLMNAUSP2
SCHEMBL11060420 0.86 NR1I2 (0.47) ALDH1A1MAPTFAAHLMNAUSP2
SCHEMBL28499337 0.86 NR1I2 (0.47) ALDH1A1MAPTFAAHLMNAUSP2
SCHEMBL10895996 0.84 MGLL (0.55) MGLLALDH1A1MAPTFAAHTHRB
SCHEMBL10895994 0.84 MGLL (0.55) MGLLALDH1A1MAPTFAAHTHRB
SCHEMBL7556925 0.83 FAAH (0.56) MGLLALDH1A1MAPTFAAHTHRB
SCHEMBL7556920 0.83 FAAH (0.56) MGLLALDH1A1MAPTFAAHTHRB
SCHEMBL28841555 0.82 HCAR2 (0.44) MGLLALDH1A1MAPTFAAHTHRB
SCHEMBL8029426 0.82 HCAR2 (0.45) MGLLALDH1A1MAPTFAAHTHRB

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-4358621-A CATALYTIC HYDROFORMYLATION OF OLEFIN TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1982-11-09 US disclosed