SCHEMBL4642344

SCHEMBL4642344

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
THRB P10828 11/20 0.36
THRA P10827 10/20 0.36
ESR1 P03372 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B1 P15121 1/20 0.33
KLK1 P06870 1/20 0.33
VCAM1 P19320 2/20 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
SCHEMBL4642396 0.95 HSD17B10 (0.38) HSD17B10THRBTHRAESR1NR3C1
SCHEMBL4645432 0.91 KDM4E (0.39) HSD17B10THRBTHRAESR1NR3C1
SCHEMBL9169212 0.90 HSD17B10 (0.41) HSD17B10THRBTHRAKMT2AAKR1B1
SCHEMBL4645094 0.88 HSD17B10 (0.40) HSD17B10THRBTHRAESR1NR3C1
SCHEMBL4644795 0.87 ALDH1A1 (0.41) HSD17B10THRBTHRAKMT2A
SCHEMBL4643853 0.86 KDM4E (0.39) HSD17B10THRBTHRAESR1NR3C1
SCHEMBL4644113 0.85 POLB (0.37) KDM4EKMT2AVCAM1
SCHEMBL27619980 0.85 VCAM1 (0.44) HSD17B10THRBTHRAKDM4EKMT2A
SCHEMBL4021940 0.83 THRA (0.44) HSD17B10THRBTHRAKDM4EKMT2A
SCHEMBL27620002 0.83 HSD17B10 (0.37) HSD17B10THRBTHRAESR1NR3C1

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