SCHEMBL21625280

SCHEMBL21625280

O=C(CCCCCc1ccc(-c2ccccc2)cc1)OCc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 1.00
FAAH O00519 1/20 1.00
CYP3A4 P08684 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
TRPA1 O75762 1/20 0.52
LPAR1 Q92633 2/20 0.48

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
SCHEMBL25420045 0.81 FAAH (0.68) MGLLFAAHCYP3A4HDAC3HDAC1
SCHEMBL2209404 0.78 FAAH (0.64) MGLLFAAHCYP3A4HDAC3HDAC1
SCHEMBL2208695 0.78 FAAH (0.64) MGLLFAAHCYP3A4HDAC3HDAC1
Phenylbutanoic Acid SCHEMBL20610729 0.77 CYP3A4 (0.70) MGLLFAAHCYP3A4HDAC3HDAC1
SCHEMBL2206712 0.77 FAAH (0.62) MGLLFAAHCYP3A4HDAC3HDAC1
SCHEMBL12414100 0.76 FAAH (0.61) MGLLFAAHCYP3A4HDAC3HDAC1
SCHEMBL29374812 0.76 FAAH (0.61) MGLLFAAHCYP3A4HDAC3HDAC1
SCHEMBL17084609 0.76 HDAC1 (0.70) MGLLFAAHCYP3A4HDAC3HDAC1
SCHEMBL8754823 0.76 CYP3A4 (0.71) MGLLFAAHCYP3A4
SCHEMBL29720556 0.76 FAAH (0.61) MGLLFAAHCYP3A4

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-3823610-A1 METHODS OF TREATING RENAL DISEASE The Regents of the University of California (US) 2021-05-26 EP disclosed
WO-2020018554-A1 METHODS OF TREATING RENAL DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-01-23 WO disclosed