SCHEMBL825698

SCHEMBL825698

CCCCCC(CC=COC=CCC(CCC)CCCCC)CCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL75662 0.82 ALDH1A1 (0.45) LMNAOPRM1CYP3A4ALDH1A1TDP1
SCHEMBL22465717 0.80 LMNA (0.43) LMNAOPRM1
SCHEMBL22465716 0.80 LMNA (0.43) LMNAOPRM1
SCHEMBL28049412 0.76 FFAR1 (0.49) LMNACYP3A4
SCHEMBL28049401 0.76 FFAR1 (0.49) LMNACYP3A4
SCHEMBL28049354 0.76 FFAR1 (0.49) LMNACYP3A4
SCHEMBL28049400 0.76 FFAR1 (0.45) LMNA
SCHEMBL28049424 0.76 FFAR1 (0.49) LMNACYP3A4
SCHEMBL29046455 0.74 LMNA (0.52) LMNACYP3A4ALDH1A1
SCHEMBL28049422 0.74 LMNA (0.44) LMNAOPRM1CYP3A4ALDH1A1TDP1

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-2585498-B1 QUATERNIZED COPOLYMER BASF SE (DE) 2018-05-30 EP disclosed
EP-2585498-A1 QUATERNIZED COPOLYMER BASF SE (DE) 2013-05-01 EP disclosed
WO-2011161149-A1 QUATERNIZED COPOLYMER BASF SE (DE) 2011-12-29 WO disclosed