SCHEMBL9621980

SCHEMBL9621980

CCCCC(CC)COC[O]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 7/20 0.53
TSHR P16473 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
ATM Q13315 1/20 0.52
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CA2 P00918 3/20 0.45
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL80432 0.86 CYP3A4 (0.67) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL288653 0.84 CYP3A4 (0.64) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
Magnesium SCHEMBL10786879 0.84 CYP3A4 (0.64) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL1230777 0.84 CYP3A4 (0.64) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
Calcium SCHEMBL10786160 0.84 CYP3A4 (0.64) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL23087841 0.84 CYP3A4 (0.64) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL18835723 0.84 CYP3A4 (0.64) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
Potassium SCHEMBL18260591 0.84 CYP3A4 (0.64) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
Barium SCHEMBL10790747 0.84 CYP3A4 (0.64) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL8281040 0.84 CYP3A4 (0.64) CYP3A4L3MBTL1ALDH1A1TSHRTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0193517-B1 HIGH SOLIDS CURABLE RESIN COATING COMPOSITION MONSANTO COMPANY (US) 1992-04-15 EP disclosed
US-4634738-A IMPROVED INTERCOAT ADHESION AND CROSSLINK DENSITY MONSANTO COMPANY (US) 1987-01-06 US disclosed
EP-0193517-A2 High solids curable resin coating composition MONSANTO COMPANY (US) 1986-09-03 EP disclosed