SCHEMBL9516089

SCHEMBL9516089

CCCCCCCCCCCCN(CCCN)CCCNCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 5/20 0.49
PHF8 Q9UPP1 3/20 0.49
KDM4C Q9H3R0 3/20 0.49
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ICMT O60725 1/20 0.40
ALB P02768 1/20 0.40
EPHX2 P34913 2/20 0.39
GPR84 Q9NQS5 6/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39

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
SCHEMBL29254376 0.88 KDM5A (0.49) KDM5APHF8KDM4CICMTALB
SCHEMBL1524230 0.85 KDM5A (0.55) KDM5APHF8KDM4CICMTALB
Hydrochloric Acid SCHEMBL6699389 0.84 KDM5A (0.54) KDM5APHF8KDM4CICMTALB
SCHEMBL24263711 0.84 KDM5A (0.57) KDM5APHF8KDM4CICMTALB
Dodecylamine SCHEMBL7193288 0.84 MAOA (0.58) MAOAMAOBGPR84PPARGPPARD
SCHEMBL7021948 0.83 KDM5A (0.50) KDM5APHF8KDM4CICMTALB
Trolamine SCHEMBL28056164 0.83 KDM5A (0.45) KDM5APHF8KDM4CEPHX2GPR84
Trolamine SCHEMBL29137997 0.83 KDM5A (0.45) KDM5APHF8KDM4CEPHX2GPR84
SCHEMBL27835921 0.82 TDP1 (0.53) TSHRALDH1A1TDP1MEN1ALOX15
SCHEMBL27853903 0.82 TDP1 (0.53) TSHRALDH1A1TDP1MEN1ALOX15

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-0392250-B1 LIQUID PRESERVATIVE RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1993-06-09 EP disclosed
US-5160666-A For alkaline plastic dispersions, paints, emulsions, adhesives benzisothiazolin-3-one and a alkyl(polyaminoalkyl) glycine compound RIEDEL-DE HAEN AG (DE) 1992-11-03 US disclosed
EP-0392250-A1 Liquid preservative RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1990-10-17 EP disclosed