SCHEMBL6790204

SCHEMBL6790204

CCCCCOOC(=O)C(CC)CCCC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.59
CA1 P00915 4/20 0.59
MAPK1 P28482 1/20 0.50
NAAA Q02083 1/20 0.40
ATM Q13315 2/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.38
TSHR P16473 4/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLA2G2C Q5R387 1/20 0.37

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
SCHEMBL23466924 0.98 CA2 (0.58) CA2CA1MAPK1NAAAATM
SCHEMBL1537759 0.98 CA2 (0.58) CA2CA1MAPK1NAAAATM
SCHEMBL5562344 0.95 CA2 (0.61) CA2CA1MAPK1ATMGAA
SCHEMBL23466940 0.95 CA2 (0.61) CA2CA1MAPK1ATMGAA
SCHEMBL2517035 0.93 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL303156 0.91 CA2 (0.53) CA2CA1MAPK1NAAAATM
SCHEMBL474830 0.90 CA2 (0.56) CA2CA1MAPK1NAAAATM
SCHEMBL2574090 0.89 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL2523173 0.89 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL1581836 0.88 CA2 (0.54) CA2CA1MAPK1NAAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191112-A1 DENTAL CURABLE COMPOSITION HAVING FAVORABLE COLOR COMPATIBILITY クラレノリタケデンタル株式会社 2023-10-05 WO disclosed
EP-4200343-A1 FUNCTIONALIZED POLYMERS Evonik Operations GmbH (DE) 2023-06-28 EP disclosed
WO-2023079966-A1 CROSSLINKABLE RESIN COMPOSITION AND CURED ARTICLE DIC株式会社 2023-05-11 WO disclosed
WO-2022038054-A1 FUNCTIONALIZED POLYMERS EVONIK OPERATIONS GMBH (DE) 2022-02-24 WO disclosed
US-20040039073-A1 Expandable styrene polymers containing carbon particles BASF AKTIENGESELLSCHAFT (DE) 2004-02-26 US disclosed