SCHEMBL29065615

SCHEMBL29065615

CC(C)(C)c1cc(Br)c(O)c(Br)c1.[Ti]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.70
HSD17B10 Q99714 4/20 0.70
TDP1 Q9NUW8 4/20 0.70
HIF1A Q16665 3/20 0.70
ALOX15 P16050 3/20 0.70
ALDH1A1 P00352 3/20 0.70
ALOX12 P18054 2/20 0.70
CYP3A4 P08684 2/20 0.70
HPGD P15428 2/20 0.70
CASP1 P29466 1/20 0.70
RECQL P46063 1/20 0.70
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CHEK1 O14757 1/20 0.52
DAPK3 O43293 1/20 0.52
RET P07949 1/20 0.52
PDGFRB P09619 1/20 0.52
PIM1 P11309 1/20 0.52

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
SCHEMBL727292 0.97 TSHR (0.73) TSHRHSD17B10TDP1HIF1AALOX15
SCHEMBL2476258 0.86 TSHR (0.58) TSHRHSD17B10TDP1HIF1AALOX15
SCHEMBL68929 0.86 ALOX15 (0.58) TSHRHSD17B10TDP1HIF1AALOX15
SCHEMBL3073021 0.84 TSHR (0.56) TSHRHSD17B10TDP1HIF1AALOX15
SCHEMBL814586 0.82 TSHR (0.54) TSHRHSD17B10TDP1HIF1AALOX15
SCHEMBL1477247 0.82 TSHR (0.73) TSHRHSD17B10TDP1HIF1AALOX15
SCHEMBL5173922 0.82 TSHR (1.00) TSHRHSD17B10TDP1HIF1AALOX15
SCHEMBL18647 0.82 TSHR (1.00) TSHRHSD17B10TDP1HIF1AALOX15
SCHEMBL22447769 0.79 TSHR (0.61) TSHRHSD17B10TDP1HIF1AALOX15
SCHEMBL20762298 0.79 ALOX15 (0.83) TSHRHSD17B10TDP1HIF1AALOX15

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
CN-110891926-B Oligomerization process using vortexes IFP 新能源公司 2023-08-04 CN disclosed