SCHEMBL4641891

SCHEMBL4641891

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
VCAM1 P19320 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ALOX15 P16050 5/20 0.34
ALOX12 P18054 3/20 0.34
AKR1B1 P15121 2/20 0.34
MCHR1 Q99705 1/20 0.34
THRB P10828 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 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
SCHEMBL4641402 0.87 HSD17B10 (0.38) HSD17B10VCAM1CYP3A4TDP1MEN1
SCHEMBL4647388 0.84 ERN1 (0.47) HSD17B10VCAM1MEN1KMT2AERN1
SCHEMBL4646760 0.84 HSD17B10 (0.41) HSD17B10VCAM1TSHRCYP3A4TDP1
SCHEMBL7861891 0.82 HSD17B10 (0.46) HSD17B10TSHRCYP3A4TDP1KMT2A
SCHEMBL4642204 0.82 HSD17B10 (0.42) HSD17B10TSHRCYP3A4TDP1MEN1
SCHEMBL4641747 0.82 HSD17B10 (0.42) HSD17B10TSHRCYP3A4TDP1MEN1
SCHEMBL4642139 0.81 VCAM1 (0.43) HSD17B10VCAM1TSHRCYP3A4TDP1
SCHEMBL9169212 0.80 HSD17B10 (0.41) HSD17B10VCAM1TSHRCYP3A4TDP1
SCHEMBL4642320 0.80 POLB (0.38) VCAM1TSHRMEN1KMT2ATHRB
SCHEMBL27619980 0.80 VCAM1 (0.44) HSD17B10VCAM1MEN1KMT2AAKR1C4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN 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