SCHEMBL8330404

SCHEMBL8330404

C/C=C/C(O)CC/C=C/CCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.48
LTB4R2 Q9NPC1 2/20 0.48
MAPT P10636 2/20 0.48
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PPARG P37231 2/20 0.46
GPR132 Q9UNW8 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 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
SCHEMBL8330406 1.00 LTB4R (0.48) LTB4RLTB4R2MAPTALOX5ALDH1A1
SCHEMBL28956231 0.86 MEN1 (0.55) MAPTALDH1A1PPARGGPR132MEN1
SCHEMBL21199270 0.86 LTB4R (0.47) LTB4RLTB4R2MAPTALOX5ALDH1A1
SCHEMBL7451658 0.81 TRPA1 (0.61) LTB4R2MAPTPPARGGPR132NFKB1
SCHEMBL9915041 0.81 TRPA1 (0.61) LTB4R2MAPTPPARGGPR132NFKB1
SCHEMBL7766991 0.81 PPARG (0.31) PPARG
SCHEMBL7766989 0.81 PPARG (0.31) PPARG
SCHEMBL7451666 0.81 TRPA1 (0.61) LTB4R2MAPTPPARGGPR132NFKB1
SCHEMBL6578839 0.81 PPARG (0.32) MAPTPPARG
SCHEMBL6578837 0.81 PPARG (0.32) MAPTPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897380-A1 METHOD FOR THE PRODUCTION OF $g(g), $g(d)-UNSATURATED KETONES BY REACTING TERTIARY ALLYL ALCOHOLS WITH ALKENYL ALKYL ETHERS BASF AKTIENGESELLSCHAFT (DE) 1999-02-24 EP disclosed
WO-1998023570-A1 METHOD FOR THE PRODUCTION OF η, δ-UNSATURATED KETONES BY REACTING TERTIARY ALLYL ALCOHOLS WITH ALKENYL ALKYL ETHERS BASF AKTIENGESELLSCHAFT (DE) 1998-06-04 WO disclosed