SCHEMBL6524495

SCHEMBL6524495

CCCCC(CC)COC(=O)C1C2C=CC(C2)C1C(=O)OCC(CC)CCCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 8/20 0.49
CA2 P00918 2/20 0.49
RECQL P46063 1/20 0.47
LMNA P02545 3/20 0.45
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL31372519 1.00 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL31372196 1.00 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL6524493 1.00 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL31372430 1.00 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL10763461 0.84 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1195424 0.82 CYP3A4 (0.54) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL4777385 0.82 CYP3A4 (0.54) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL14874505 0.82 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL14874506 0.82 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1297731 0.82 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMALDH1A1

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
US-20050233149-A1 Curable compositions ANSELL CHRISTOPHER 2005-10-20 US disclosed
US-20040151902-A1 Curable compositions ANSELL CHRISTOPHER (GB) 2004-08-05 US disclosed