SCHEMBL9067066

SCHEMBL9067066

C#COc1c(Br)cc(Br)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ ALOX15 P16050 4/20 0.34
▸ ALOX12 P18054 3/20 0.34
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ AKR1B1 P15121 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ AHR P35869 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
SCHEMBL7124456 0.82 GABRA1 (0.44) HSD17B10ALOX15ALOX12GABRA1GABRB1
SCHEMBL10512706 0.76 NMT1 (0.34) —
SCHEMBL9419408 0.75 TDP1 (0.36) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL3197724 0.75 HSD17B10 (0.39) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL7121673 0.73 THRA (0.35) TDP1CYP3A4TSHRALOX15
SCHEMBL3803700 0.69 TDP1 (0.45) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL27503034 0.67 TSHR (0.43) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL28973883 0.65 TDP1 (0.41) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL301662 0.65 HSD17B10 (0.59) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL6229593 0.65 HSD17B10 (0.39) TDP1CYP3A4TSHRHSD17B10ALOX15

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
EP-0441383-B1 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO (JP) 1996-05-08 — — EP claimed
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