SCHEMBL9745596

SCHEMBL9745596

CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(OCCN)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.78
TRPV1 Q8NER1 5/20 0.71
MAPT P10636 2/20 0.71
HPGD P15428 2/20 0.71
MEN1 O00255 1/20 0.71
TP53 P04637 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
MTOR P42345 1/20 0.71
KMT2A Q03164 1/20 0.71
ALDH1A1 P00352 1/20 0.64
CNR1 P21554 1/20 0.62
FAAH O00519 1/20 0.61

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
SCHEMBL9740962 1.00 EPHX2 (0.78) EPHX2TRPV1MAPTHPGDMEN1
SCHEMBL30603561 1.00 EPHX2 (0.78) EPHX2TRPV1MAPTHPGDMEN1
SCHEMBL9321719 1.00 EPHX2 (0.78) EPHX2TRPV1MAPTHPGDMEN1
SCHEMBL9323104 1.00 EPHX2 (0.78) EPHX2TRPV1MAPTHPGDMEN1
SCHEMBL6700365 1.00 EPHX2 (0.78) EPHX2TRPV1MAPTHPGDMEN1
SCHEMBL29380131 1.00 EPHX2 (0.78) EPHX2TRPV1MAPTHPGDMEN1
SCHEMBL9740839 0.98 EPHX2 (0.81) EPHX2TRPV1MAPTHPGDMEN1
SCHEMBL9320933 0.98 EPHX2 (0.74) EPHX2TRPV1MAPTHPGDMEN1
SCHEMBL10710571 0.94 EPHX2 (0.84) EPHX2TRPV1MAPTHPGDMEN1
SCHEMBL9321762 0.94 EPHX2 (0.78) EPHX2TRPV1MAPTHPGDMEN1

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-5099030-A Phenols or phenolic ethers THE PROCTER & GAMBLE COMPANY (US) 1992-03-24 US disclosed