SCHEMBL1667533

SCHEMBL1667533

CC(=O)CCC(c1ccccc1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.48
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.45
P2RX7 Q99572 2/20 0.45
FKBP1A P62942 1/20 0.44
KCNA5 P22460 1/20 0.44

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
SCHEMBL28303907 0.88 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRCYP2C19HIF1A
SCHEMBL7695920 0.85 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRCYP2C19HIF1A
SCHEMBL3825965 0.85 CYP1A2 (0.58) ALDH1A1CYP3A4TSHRCYP2C19LMNA
SCHEMBL11989937 0.80 OPRM1 (0.58) ALDH1A1CYP3A4TSHRCYP2C19LMNA
SCHEMBL23682540 0.79 OPRM1 (0.59) ALDH1A1CYP3A4TSHRCYP2C19LMNA
SCHEMBL12508381 0.78 KCNA5 (0.48) ALDH1A1CYP3A4TSHRCYP2C19HIF1A
SCHEMBL1303683 0.77 DPP4 (0.53) ALDH1A1CYP3A4TSHRCYP2C19LMNA
SCHEMBL11651599 0.77 OPRL1 (0.58) ALDH1A1CYP3A4TSHRCYP2C19HIF1A
SCHEMBL1711539 0.77 OPRM1 (0.56) ALDH1A1CYP3A4TSHRCYP2C19HIF1A
SCHEMBL11990089 0.77 KCNA5 (0.47) ALDH1A1CYP3A4TSHRCYP2C19HIF1A

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-2482815-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES Avexxin AS (NO) 2012-08-08 EP disclosed
WO-2011039365-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS (NO) 2011-04-07 WO disclosed