SCHEMBL7178901

SCHEMBL7178901

CCCCCCCCCCN(CCCCCCCCCC)/C(CC)=C(\C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
THRB P10828 1/20 0.47
PGGT1B P53609 1/20 0.47
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
CA2 P00918 1/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.38
MGLL Q99685 1/20 0.38
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 7/20 0.38
PPARD Q03181 7/20 0.38
PPARA Q07869 7/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
PTPN1 P18031 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38

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
SCHEMBL6450984 1.00 FNTA (0.47) FNTAFNTBTHRBPGGT1BCA12
SCHEMBL6450884 1.00 FNTA (0.47) FNTAFNTBTHRBPGGT1BCA12
SCHEMBL3819591 0.98 FNTA (0.44) FNTAFNTBTHRBPGGT1BCA12
SCHEMBL3278807 0.92 CA12 (0.45) FNTAFNTBTHRBPGGT1BCA12
SCHEMBL3219323 0.92 CA12 (0.45) FNTAFNTBTHRBPGGT1BCA12
SCHEMBL5065747 0.84 CA12 (0.41) FNTAFNTBTHRBPGGT1BCA12
SCHEMBL3227783 0.84 CA12 (0.41) FNTAFNTBTHRBPGGT1BCA12
SCHEMBL7103876 0.84 CA12 (0.40) FNTAFNTBTHRBPGGT1BCA12
SCHEMBL3284928 0.81 FNTA (0.50) FNTAFNTBTHRBPGGT1BCA12
SCHEMBL3277694 0.81 FNTA (0.50) FNTAFNTBTHRBPGGT1BCA12

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
EP-1331231-A2 Polymers having biocidal activity, process for their preparation and their use Clariant GmbH (DE) 2003-07-30 EP disclosed