SCHEMBL11679402

SCHEMBL11679402

CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.[Ni]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 7/20 0.46
CA2 P00918 3/20 0.41
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DNM1 Q05193 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 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
SCHEMBL11677949 1.00 CYP3A4 (0.52) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL225460 0.98 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL5076284 0.92 CYP3A4 (0.48) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL8437006 0.89 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL10497089 0.88 CYP3A4 (0.48) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL11311699 0.87 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL29042204 0.86 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL8436733 0.84 CYP3A4 (0.39) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL22729167 0.84 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL18650062 0.83 CYP3A4 (0.44) CYP3A4L3MBTL1TSHRTDP1ATM

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-4012399-A ULTRAVIOLET LIGHT ABSORBERS AND STABILIZERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1977-03-15 US disclosed
US-3959220-A Polymer additives comprising transition metal complexes with trivalent phosphorous compounds CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-05-25 US disclosed