SCHEMBL6442583

SCHEMBL6442583

CCCCCCCCCCCCCCCCCCOOOC(=O)OOOC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
CES2 O00748 2/20 0.38
EPHX1 P07099 1/20 0.36
TSHR P16473 3/20 0.35
LPAR3 Q9UBY5 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
DGKA P23743 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PLA2G2C Q5R387 2/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6333647 0.88 NAAA (0.47) NAAACES2EPHX1TSHRLPAR3
SCHEMBL7064626 0.88 NAAA (0.47) NAAACES2EPHX1TSHRLPAR3
SCHEMBL8057242 0.86 NAAA (0.45) NAAACES2EPHX1TSHRLPAR3
SCHEMBL8416800 0.85 NAAA (0.47) NAAACES2EPHX1TSHRDGKA
SCHEMBL1421042 0.85 NAAA (0.47) NAAACES2EPHX1TSHRDGKA
SCHEMBL11710524 0.85 NAAA (0.47) NAAACES2EPHX1TSHRDGKA
SCHEMBL27831760 0.85 NAAA (0.39) NAAACES2EPHX1TSHRLPAR3
SCHEMBL28506895 0.85 NAAA (0.47) NAAACES2EPHX1TSHRDGKA
SCHEMBL1630028 0.83 NAAA (0.44) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL3451896 0.83 DGKA (0.46) NAAACES2TSHRDGKAALDH1A1

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
EP-0969037-B1 Expandable polystyrene composition, expanded beads and moulded parts BP CHEM INT LTD (GB) 2005-04-20 EP disclosed
US-6271272-B1 BLOWING AGENTS OF PENTANE AND PETROLEUM WAX ALKANES AND NUCLEATION AGENT FROM WAXES BP CHEMICALS LIMITED (GB) 2001-08-07 US disclosed
EP-0969037-A1 Expandable polystyrene composition, expanded beads and moulded parts BP Chemicals Limited (GB) 2000-01-05 EP disclosed