SCHEMBL28014441

SCHEMBL28014441

CCCCCCCCCCCCCCC1CCCCC1C(CC(=O)OC(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALOX5 P09917 1/20 0.37
NAAA Q02083 3/20 0.36
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2B P41595 1/20 0.35
MC3R P41968 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE4D Q08499 1/20 0.35
SCN5A Q14524 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSK P43235 3/20 0.31
CHRM3 P20309 1/20 0.31
CTSL P07711 2/20 0.31

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
SCHEMBL27622694 0.86 CYP2D6 (0.41) ALOX5NAAATP53TSHRALDH1A1
SCHEMBL28147991 0.78 CYP2D6 (0.48) ALOX5NAAATSHRALDH1A1POLB
SCHEMBL27878049 0.76 TSHR (0.42) ALOX5NAAATSHRALDH1A1POLB
SCHEMBL18489584 0.76 HMGCR (0.31)
SCHEMBL28015114 0.75 ALOX5 (0.43) ALOX5NAAATP53
SCHEMBL28134635 0.73 CYP2D6 (0.46) LMNAALOX5NAAATSHRALDH1A1
SCHEMBL27622674 0.72 CYP2D6 (0.42) SLC6A2SLC6A3TSHRALDH1A1
SCHEMBL28014439 0.72 LMNA (0.51) LMNAALOX5NAAAPGRADORA3
SCHEMBL12986824 0.70 ALOX5 (0.42) ALOX5TP53TSHRALDH1A1
SCHEMBL18489502 0.69 CYP2D6 (0.32) CTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104736627-A Propylene resin composition for retort pouch-packaging film SUN ALLOMER LTD 2015-06-24 CN disclosed