SCHEMBL4641402

SCHEMBL4641402

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 4/20 0.37
POLB P06746 1/20 0.36
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.33
TPMT P51580 1/20 0.33
VCAM1 P19320 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.33
THRB P10828 2/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4642320 0.91 POLB (0.38) KDM4EPOLBALDH1A1VCAM1RECQL
SCHEMBL4641891 0.87 HSD17B10 (0.43) HSD17B10TDP1ALOX15VCAM1THRB
SCHEMBL4646986 0.87 VCAM1 (0.36) HSD17B10KDM4EPOLBCYP1A2CYP2D6
SCHEMBL4644473 0.86 HSD17B10 (0.38) HSD17B10KDM4EPOLBCYP1A2CYP2D6
SCHEMBL4643495 0.85 HSD17B10 (0.37) HSD17B10KDM4EPOLBCYP1A2CYP2D6
SCHEMBL4645070 0.84 VCAM1 (0.39) HSD17B10KDM4EPOLBCYP1A2CYP2D6
SCHEMBL4644450 0.83 HSD17B10 (0.36) HSD17B10KDM4EPOLBCYP1A2CYP2D6
SCHEMBL4642068 0.83 VCAM1 (0.40) HSD17B10KDM4EPOLBCYP1A2CYP2D6
SCHEMBL4642291 0.82 HSD17B10 (0.35) HSD17B10KDM4EPOLBCYP1A2CYP2D6
SCHEMBL4643853 0.81 KDM4E (0.39) HSD17B10KDM4EPOLBCYP1A2CYP2D6

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