SCHEMBL28036310

SCHEMBL28036310

CCCCC(CC)CNOC(=O)CC(C)C(=O)ONCC(CC)CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
CYP3A4 P08684 5/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.42
RECQL P46063 1/20 0.41
CA2 P00918 4/20 0.38
CA1 P00915 1/20 0.38
LMNA P02545 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34

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
Ammonia Solution, Strong SCHEMBL28001044 0.85 ALDH1A1 (0.47) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL11417443 0.80 TSHR (0.50) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL11414684 0.79 TSHR (0.57) TSHRCYP3A4ATMTDP1ALDH1A1
Propionic Acid SCHEMBL14829414 0.78 TSHR (0.46) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL14500617 0.77 TSHR (0.52) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL8600744 0.74 TSHR (0.44) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL28309117 0.73 ALDH1A1 (0.52) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL10142335 0.73 RECQL (0.67) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL10820824 0.70 ALDH1A1 (0.61) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL3966075 0.69 TSHR (0.59) TSHRCYP3A4ATMTDP1ALDH1A1

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
CN-104919027-B Alkaline ashless additive 路博润公司 2018-01-05 CN disclosed
CN-104919027-A Basic ashless additives LUBRIZOL CORP 2015-09-16 CN disclosed