SCHEMBL28401083

SCHEMBL28401083

CCCCC(CC)CCOC(=O)CCC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.62
TSHR P16473 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
ATM Q13315 1/20 0.62
CA2 P00918 4/20 0.53
DGKA P23743 1/20 0.48
RECQL P46063 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CA1 P00915 1/20 0.42
LMNA P02545 2/20 0.41
DNM1 Q05193 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.40
HTR2C P28335 1/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 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
SCHEMBL23008675 0.93 CYP3A4 (0.67) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28401695 0.91 TSHR (0.70) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28888809 0.90 TSHR (0.68) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28399100 0.90 TSHR (0.68) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28400801 0.90 TSHR (0.68) CYP3A4TSHRTDP1ATMCA2
SCHEMBL20774562 0.90 TSHR (0.68) CYP3A4TSHRTDP1ATMCA2
SCHEMBL20774493 0.88 DGKA (0.56) CYP3A4TSHRTDP1ATMDGKA
SCHEMBL28399409 0.87 NAAA (0.55) CYP3A4TSHRTDP1ATMCA2
SCHEMBL26614854 0.86 DGKA (0.58) CYP3A4TSHRTDP1ATMDGKA
SCHEMBL26614743 0.86 DGKA (0.58) CYP3A4TSHRTDP1ATMDGKA

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
CN-111032613-A Ester compound, lubricating oil composition containing the same, and process for producing the same 埃克森美孚化学专利公司 2020-04-17 CN claimed
CN-111032613-B Ester compound, lubricating oil composition containing the same, and method for producing the same 埃克森美孚化学专利公司 2023-03-28 CN disclosed
CN-111032613-A Ester compound, lubricating oil composition containing the same, and process for producing the same 埃克森美孚化学专利公司 2020-04-17 CN disclosed