Sugi Predict

Sugi Predict / Compounds / SCHEMBL3478060

SCHEMBL3478060

SCHEMBL3478060

CC1(C)OB(c2ccc3oc(NC4CCCCC4)nc3c2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.53
▸ FAAH O00519 8/20 0.52
▸ PIK3CA P42336 1/20 0.45
▸ ELANE P08246 2/20 0.42
▸ RPS6KA2 Q15349 1/20 0.36
▸ CXCR3 P49682 1/20 0.36
▸ SSTR5 P35346 2/20 0.35

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
SCHEMBL16380661 0.77 FAAH (0.63) HDAC6FAAHPIK3CAELANE
SCHEMBL29970034 0.77 HDAC6 (0.53) HDAC6FAAHPIK3CAELANECXCR3
SCHEMBL28611218 0.77 HDAC6 (0.53) HDAC6FAAHPIK3CAELANECXCR3
SCHEMBL13436761 0.75 HDAC6 (0.62) HDAC6FAAHPIK3CAELANESSTR5
SCHEMBL13370383 0.75 POLB (0.35) PIK3CA
SCHEMBL7899481 0.75 PIK3CA (0.45) HDAC6PIK3CA
SCHEMBL3478062 0.75 NPC1 (0.54) HDAC6FAAH
SCHEMBL28479671 0.75 CA1 (0.43) —
SCHEMBL14494690 0.74 HDAC6 (0.58) HDAC6FAAHPIK3CAELANESSTR5
SCHEMBL18613753 0.74 HDAC6 (0.38) HDAC6

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