SCHEMBL8760936

SCHEMBL8760936

CCCCOc1c(Br)cc(C(C)(C)c2cc(Br)c(O)c(Br)c2)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HIF1A Q16665 3/20 0.59
ALOX15 P16050 2/20 0.59
ALOX12 P18054 2/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 1/20 0.59
CASP1 P29466 1/20 0.59
RECQL P46063 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
THRA P10827 4/20 0.50
THRB P10828 4/20 0.50
ESR1 P03372 3/20 0.48
CHEK1 O14757 1/20 0.47
DAPK3 O43293 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
PDGFRA P16234 1/20 0.47

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
SCHEMBL14986880 0.88 ALOX15 (0.59) ALDH1A1HIF1AALOX15ALOX12TSHR
SCHEMBL26215281 0.88 ALOX15 (0.59) ALDH1A1HIF1AALOX15ALOX12TSHR
SCHEMBL3257461 0.87 THRA (0.54) ALDH1A1HIF1AALOX15ALOX12TSHR
SCHEMBL17206840 0.86 ALOX15 (0.61) ALDH1A1HIF1AALOX15ALOX12TSHR
SCHEMBL8761463 0.85 TSHR (0.66) ALDH1A1HIF1AALOX15ALOX12TSHR
SCHEMBL24605354 0.84 HIF1A (0.54) ALDH1A1HIF1AALOX15ALOX12TSHR
SCHEMBL6336071 0.83 ALDH1A1 (0.56) ALDH1A1HIF1AALOX15ALOX12TSHR
SCHEMBL12370678 0.81 ALDH1A1 (0.44) ALDH1A1ALOX15ALOX12TSHRHPGD
SCHEMBL10990403 0.80 ALDH1A1 (0.53) ALDH1A1HIF1AALOX15ALOX12TSHR
SCHEMBL8559584 0.79 THRB (0.49) ALDH1A1HIF1AALOX15ALOX12TSHR

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
EP-0497465-B1 Record material APPLETON PAPER INC (US) 1997-06-04 EP disclosed
EP-0497465-A1 Record material APPLETON PAPERS INC. (US) 1992-08-05 EP disclosed