SCHEMBL7532040

SCHEMBL7532040

OC1(Oc2ccccc2)CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.33
KDM4E B2RXH2 1/20 0.33
AKR1C1 Q04828 1/20 0.32
MMP2 P08253 1/20 0.31
CTSK P43235 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1B P35368 1/20 0.31
TRPV1 Q8NER1 2/20 0.30
TRPA1 O75762 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL536142 0.95 KDM4E (0.31) FAAHKDM4ETRPA1MEN1KMT2A
SCHEMBL28127207 0.76 HTR1A (0.34) FAAHHTR1AADRA1DADRA1BMEN1
SCHEMBL6369878 0.75 HTR1A (0.31) FAAHHTR1AADRA1DADRA1BTRPV1
SCHEMBL28051698 0.75 HTR1A (0.33) FAAHHTR1AADRA1DADRA1BMEN1
SCHEMBL9150620 0.75 HTR1A (0.31) FAAHHTR1AADRA1DADRA1BMEN1
SCHEMBL12989493 0.75 POLB (0.34) FAAHKDM4ECTSKHTR1AADRA1D
SCHEMBL31233121 0.75 AKR1C1 (0.43) FAAHKDM4EAKR1C1CTSKTRPV1
SCHEMBL7748243 0.75 MEN1 (0.35) MEN1KMT2A
SCHEMBL16369873 0.72 ALDH1A1 (0.34) MEN1POLBKMT2A
SCHEMBL29199618 0.71

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
EP-0877732-B1 SULFONATE DERIVATIZED PERFUMES PROCTER & GAMBLE (US) 2002-04-17 EP claimed