SCHEMBL2442046

SCHEMBL2442046

C=CC(=O)CC(C=CC(=O)CCc1ccccc1C)c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.36
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ DAO P14920 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ PTGER1 P34995 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ PTGER3 P43115 1/20 0.31
▸ PTGER2 P43116 1/20 0.31
▸ GLS O94925 1/20 0.30
▸ KDM4A O75164 1/20 0.30
▸ KDM5A P29375 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30
▸ KDM5B Q9UGL1 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL2441467 0.79 NOTUM (0.48) NOTUMKMT2AGAAALDH1A1TAAR1
SCHEMBL14613770 0.69 LPAR1 (0.38) KMT2AMEN1
SCHEMBL13016135 0.68 NOTUM (0.44) NOTUMKMT2AGAAALDH1A1TAAR1
SCHEMBL19982716 0.68 IAPP (0.44) NOTUMKMT2AGAAALDH1A1TAAR1
SCHEMBL2436542 0.68 FFAR4 (0.36) TAAR1GPR84DAOALOX5NR3C2
SCHEMBL705718 0.67 CTBP2 (0.50) KMT2AGAAALDH1A1TAAR1MEN1
SCHEMBL4601073 0.67 NOTUM (0.45) NOTUMKMT2AGAAALDH1A1TAAR1
SCHEMBL9308692 0.65 TAAR1 (0.47) TAAR1
SCHEMBL12802585 0.65 TAAR1 (0.47) NOTUMKMT2AGAAALDH1A1TAAR1
SCHEMBL14614108 0.65 CYP4F2 (0.44) GAAALDH1A1PTGER1PTGER4PTGER3

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-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 — — EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 — — WO claimed
Send feedback