SCHEMBL11043033

SCHEMBL11043033

C=C(C)C(=O)Oc1c(Br)cc(C(C)(C)c2c(OCC)c(Br)c(O)c(Br)c2OCC)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
ALOX12 P18054 2/20 0.34
TSHR P16473 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
RET P07949 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 1/20 0.31
PDGFRA P16234 1/20 0.31
KDR P35968 1/20 0.31
MAPK8 P45983 1/20 0.31

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
SCHEMBL10791124 0.87 ALOX15 (0.34) ALDH1A1ALOX15ALOX12TSHRHIF1A
SCHEMBL6440607 0.86
SCHEMBL10409152 0.80 HIF1A (0.56) ALDH1A1ALOX15ALOX12TSHRHIF1A
SCHEMBL1232005 0.80 THRB (0.33) THRB
SCHEMBL674146 0.80 ALDH1A1 (0.44) ALDH1A1ALOX15ALOX12TSHRHIF1A
SCHEMBL2452962 0.77 THRB (0.40) THRBALDH1A1TSHRHSD17B10NCOA1
SCHEMBL7219368 0.75 ALDH1A1 (0.35) ALDH1A1ALOX15ALOX12TSHRHIF1A
SCHEMBL10606162 0.75 ALDH1A1 (0.41) THRBALDH1A1ALOX15ALOX12TSHR
SCHEMBL10893537 0.75 THRB (0.35) THRBALDH1A1ALOX15ALOX12TSHR
SCHEMBL65415 0.74 THRB (0.36) THRBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487904-A Urethanized acrylic resin material for plastic lens and lens composed thereof TORAY INDUSTRIES, INC. (JP) 1984-12-11 US disclosed