SCHEMBL4644450

SCHEMBL4644450

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 4/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32
TPMT P51580 1/20 0.32
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
HPGD P15428 1/20 0.31
THRB P10828 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL4642401 0.92 POLB (0.37) KDM4EPOLBALDH1A1LMNACYP1A2
SCHEMBL4643853 0.91 KDM4E (0.39) HSD17B10KDM4EPOLBALDH1A1LMNA
SCHEMBL4645094 0.90 HSD17B10 (0.40) HSD17B10TDP1ALOX15THRBCYP3A4
SCHEMBL4645432 0.89 KDM4E (0.39) HSD17B10KDM4EPOLBALDH1A1LMNA
SCHEMBL4646986 0.87 VCAM1 (0.36) HSD17B10KDM4EPOLBALDH1A1LMNA
SCHEMBL4644473 0.87 HSD17B10 (0.38) HSD17B10KDM4EPOLBALDH1A1LMNA
SCHEMBL4642291 0.86 HSD17B10 (0.35) HSD17B10KDM4EPOLBALDH1A1LMNA
SCHEMBL4645070 0.84 VCAM1 (0.39) HSD17B10KDM4EPOLBALDH1A1LMNA
SCHEMBL4641402 0.83 HSD17B10 (0.38) HSD17B10KDM4EPOLBALDH1A1LMNA
SCHEMBL4642068 0.83 VCAM1 (0.40) HSD17B10KDM4EPOLBALDH1A1LMNA

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