SCHEMBL9224378

SCHEMBL9224378

Oc1ccc(CC(CCc2ccccc2)Cc2ccc(O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.54
KDM4E B2RXH2 1/20 0.53
TRPV1 Q8NER1 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ANPEP P15144 2/20 0.49
ERAP2 Q6P179 2/20 0.49
ERAP1 Q9NZ08 2/20 0.49
LAP3 P28838 1/20 0.49
ENPEP Q07075 1/20 0.49
DPP4 P27487 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
ACE P12821 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
LMNA P02545 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45

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
SCHEMBL5807651 0.90 OPRK1 (0.59) OPRK1KDM4EDPP4ESR1ESR2
SCHEMBL7085691 0.88 EPHX1 (0.48) SIGMAR1ANPEPERAP1SLC6A2HTR2A
SCHEMBL6181872 0.87 TRPV1 (0.55) OPRK1KDM4ETRPV1ANPEPERAP2
SCHEMBL11775728 0.86 FNTA (0.54) TRPV1SIGMAR1ESR1ESR2FNTA
SCHEMBL145170 0.83 TRPV1 (0.62) OPRK1KDM4ETRPV1SIGMAR1ANPEP
SCHEMBL3215341 0.81 OPRK1 (0.59) OPRK1KDM4ETRPV1SIGMAR1ESR1
SCHEMBL6675718 0.81 ANPEP (0.57) OPRK1KDM4ETRPV1SIGMAR1ANPEP
SCHEMBL7547922 0.80 TRPA1 (0.48) ANPEPERAP2ERAP1ACESLC6A2
SCHEMBL7547930 0.80 TRPA1 (0.48) ANPEPERAP2ERAP1ACESLC6A2
SCHEMBL717373 0.79 ESR1 (0.78) KDM4EESR1ESR2KMT2AFNTA

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-5470834-A Metalloproteinase enzyme inhibitors for arthritis, rheumatism and cancers FLORIDA STATE UNIVERSITY (US) 1995-11-28 US disclosed