SCHEMBL11145355

SCHEMBL11145355

CCCC(C)COC(=O)CCc1cc(Br)c(N)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.40
THRB P10828 6/20 0.40
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PTPN1 P18031 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
GSK3B P49841 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL11146014 0.81 CYP4F2 (0.53) THRATHRBCYP4F2CYP4A11TDP1
SCHEMBL11147492 0.80 CYP4F2 (0.47) CYP4F2CYP4A11TDP1CYP3A4TSHR
SCHEMBL9225923 0.79 CYP4F2 (0.39) CYP4F2CYP4A11PTPN1MAPTCNR2
SCHEMBL19024897 0.77 TDP1 (0.58) CYP4F2CYP4A11SMN1; SMN2MAPTTDP1
SCHEMBL19024850 0.76 CYP4F2 (0.51) CYP4F2CYP4A11MAPTTDP1
SCHEMBL11135335 0.74 KDM4E (0.41) THRATHRBPTPN1MAPTTSHR
SCHEMBL28423604 0.73 MAPT (0.48) MAPTTDP1CYP3A4TSHRATM
SCHEMBL11039444 0.73 TDP1 (0.40) TDP1CYP3A4
SCHEMBL11039445 0.73 TDP1 (0.40) TDP1CYP3A4
SCHEMBL19024852 0.72 CRHBP (0.39) CYP4F2CYP4A11SMN1; SMN2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 US disclosed
EP-0039312-A1 Colour photopgraphic material for the silver-dye bleaching process, process for the production of this material and its use in the production of photographic images CIBA-GEIGY AG (CH) 1981-11-04 EP disclosed