SCHEMBL20767415

SCHEMBL20767415

CCCCCCCCC(CCCCCCCC)COC(=O)C(CC)CCCC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.58
CA1 P00915 4/20 0.58
TSHR P16473 3/20 0.51
CYP3A4 P08684 3/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
MAPK1 P28482 2/20 0.48
RECQL P46063 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.42
ZDHHC7 Q9NXF8 1/20 0.42
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3807521 1.00 CA2 (0.58) CA2CA1TSHRCYP3A4ATM
SCHEMBL2904337 1.00 CA2 (0.58) CA2CA1TSHRCYP3A4ATM
SCHEMBL9933436 1.00 CA2 (0.58) CA2CA1TSHRCYP3A4ATM
SCHEMBL9933922 1.00 CA2 (0.58) CA2CA1TSHRCYP3A4ATM
SCHEMBL3326003 1.00 CA2 (0.58) CA2CA1TSHRCYP3A4ATM
SCHEMBL7223059 0.95 CYP3A4 (0.58) CA2CA1TSHRCYP3A4ATM
SCHEMBL9934623 0.95 CA2 (0.56) CA2CA1TSHRCYP3A4ATM
SCHEMBL28900906 0.95 CYP3A4 (0.58) CA2CA1TSHRCYP3A4ATM
SCHEMBL3754117 0.93 CA2 (0.52) CA2CA1TSHRCYP3A4ATM
SCHEMBL3747389 0.93 CA2 (0.52) CA2CA1TSHRCYP3A4ATM

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
WO-2019040580-A1 ASHLESS ENGINE LUBRICANTS FOR HIGH TEMPERATURE APPLICATIONS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (GB) 2019-02-28 WO claimed
WO-2019040580-A1 ASHLESS ENGINE LUBRICANTS FOR HIGH TEMPERATURE APPLICATIONS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (GB) 2019-02-28 WO disclosed