SCHEMBL7038191

SCHEMBL7038191

CCCCC(CC)C/C(C#N)=C(/C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 5/20 0.37
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
RECQL P46063 1/20 0.35
THRB P10828 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 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
SCHEMBL7038195 1.00 CA2 (0.40) CA2ALDH1A1MAPK1LMNACYP3A4
SCHEMBL10912761 0.78 CA2 (0.46) CA2ALDH1A1MAPK1LMNACYP3A4
SCHEMBL6688764 0.78 CA2 (0.46) CA2ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL149322 0.78 CA2 (0.46) CA2ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL9118006 0.76 CA2 (0.43) CA2ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL9118016 0.76 CA2 (0.43) CA2ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL162501 0.74 FNTA (0.46) ALDH1A1TSHRTDP1THRBFNTA
SCHEMBL7104405 0.73 CA2 (0.42) CA2ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL226707 0.72 CA2 (0.50) CA2ALDH1A1MAPK1LMNACYP3A4
SCHEMBL183724 0.72 CA2 (0.50) CA2ALDH1A1MAPK1LMNACYP3A4

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
US-6800384-B2 MULTILAYER THERMOPLASTIC RESINS OKAMOTO INDUSTRIES, INC. (JP) 2004-10-05 US disclosed
US-20030190438-A1 Multilayer thermoplastic resins OKAMOTO INDUSTRIES, INC. (JP) 2003-10-09 US disclosed