SCHEMBL8957652

SCHEMBL8957652

C=C(C)C(=O)OC(OCC)(Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(OCC)(OC(=O)C(=C)C)C(OCC)(OCC)OCC)c(Br)c2)cc1Br)C(OCC)(OCC)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.30
CHEK1 O14757 1/20 0.30
DAPK3 O43293 1/20 0.30
RET P07949 1/20 0.30
PDGFRB P09619 1/20 0.30
PIM1 P11309 1/20 0.30
PDGFRA P16234 1/20 0.30
KDR P35968 1/20 0.30
MAPK8 P45983 1/20 0.30

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
SCHEMBL8957705 0.85
SCHEMBL8957719 0.80 ALDH1A1 (0.39) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8957789 0.79 ABCB11 (0.33) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL8957717 0.75 CYP2C19 (0.38) ALDH1A1
SCHEMBL674146 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL11997925 0.72 THRB (0.43) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL672151 0.70 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL7219368 0.70 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8957746 0.70 AR (0.31)
SCHEMBL10409152 0.70 HIF1A (0.56) ALDH1A1CYP3A4HPGDALOX15TSHR

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
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US claimed
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US disclosed
EP-0691550-A2 Polymerizable composition and organic glass TOKUYAMA CORPORATION (JP) 1996-01-10 EP disclosed