SCHEMBL3476787

SCHEMBL3476787

COc1cc(OC)cc(-c2ccc3oc(NC4CCCCC4)nc3c2)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.72
HDAC6 Q9UBN7 1/20 0.53
PIK3CA P42336 1/20 0.53
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RPS6KA2 Q15349 1/20 0.42
HTR6 P50406 1/20 0.42
ELANE P08246 1/20 0.42
SSTR5 P35346 1/20 0.41

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
SCHEMBL3476876 0.86 FAAH (0.77) FAAHHDAC6PIK3CARPS6KA2SSTR5
SCHEMBL3474867 0.85 FAAH (0.69) FAAHHDAC6PIK3CARPS6KA2ELANE
SCHEMBL3476698 0.84 FAAH (1.00) FAAHHDAC6PIK3CARPS6KA2ELANE
SCHEMBL3476655 0.84 FAAH (0.69) FAAHHDAC6PIK3CARPS6KA2ELANE
SCHEMBL13436724 0.84 FAAH (0.63) FAAHHDAC6PIK3CARPS6KA2HTR6
SCHEMBL3477435 0.83 FAAH (0.75) FAAHHDAC6PIK3CAALDH1A1HPGD
SCHEMBL3475486 0.83 FAAH (0.69) FAAHHDAC6PIK3CARPS6KA2SSTR5
SCHEMBL13436720 0.83 FAAH (0.78) FAAHHDAC6PIK3CASMN1; SMN2RPS6KA2
SCHEMBL3477409 0.83 FAAH (0.71) FAAHHDAC6PIK3CAALDH1A1TP53
SCHEMBL3476255 0.83 FAAH (0.62) FAAHHDAC6PIK3CARPS6KA2SSTR5

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
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed