SCHEMBL4643853

SCHEMBL4643853

O=C(CCCCl)Oc1c(Cl)cc(Br)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
POLB P06746 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 6/20 0.33
THRA P10827 5/20 0.33
KLK1 P06870 1/20 0.33
ESR1 P03372 1/20 0.32
NR3C1 P04150 1/20 0.32

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
SCHEMBL4645432 0.95 KDM4E (0.39) KDM4EPOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL4642019 0.92 POLB (0.38) KDM4EPOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL4644450 0.91 HSD17B10 (0.36) KDM4EPOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL4642396 0.91 HSD17B10 (0.38) KDM4EMEN1KMT2AHSD17B10THRB
SCHEMBL4645070 0.88 VCAM1 (0.39) KDM4EPOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL4644113 0.88 POLB (0.37) KDM4EPOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL4642068 0.87 VCAM1 (0.40) KDM4EPOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL4644082 0.87 KDM4E (0.36) KDM4EPOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL4642344 0.86 HSD17B10 (0.37) KDM4EKMT2AHSD17B10THRBTHRA
SCHEMBL4646986 0.84 VCAM1 (0.36) KDM4EPOLBCYP1A2CYP2D6ALDH1A1

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed