SCHEMBL28113315

SCHEMBL28113315

CCCCC(CC)CC=CC([O])=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 4/20 0.44
CYP3A4 P08684 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2069188 0.85 ACHE (0.46) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL8665357 0.85 ACHE (0.46) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL15572905 0.84 CA2 (0.44) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL4444563 0.84 CA2 (0.44) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL27877490 0.81 TSHR (0.47) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL20640497 0.80 CA2 (0.41) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL23925191 0.80 ALDH1A1 (0.54) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL23925189 0.80 ALDH1A1 (0.54) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL10459468 0.79 HCAR2 (0.45) LMNA
SCHEMBL10582207 0.79 HCAR2 (0.45) LMNA

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-104870588-B The contact adhesive prepared by degradable monomer and polymer 3M INNOVATIVE PROPERTIES CO. (US) 2016-11-30 CN disclosed