SCHEMBL11737473

SCHEMBL11737473

Fc1ccc(-c2ccc(OCC3CO3)cc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KDM1A O60341 1/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ FFAR4 Q5NUL3 5/20 0.40

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
SCHEMBL14063014 0.90 TDP1 (0.50) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL14063011 0.89 ALDH1A1 (0.51) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL14063029 0.87 ALDH1A1 (0.50) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL14062810 0.84 TDP1 (0.44) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL14062994 0.83 TDP1 (0.56) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL11747205 0.83 TDP1 (0.59) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL11743286 0.82 TDP1 (0.60) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2527003 0.81 TDP1 (0.66) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2531000 0.81 TDP1 (0.66) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL1959536 0.81 TDP1 (0.66) TDP1ALDH1A1TP53TSHRHIF1A

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-4060609-A ANTICHOLESTEROL MERCH PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-29 — — US disclosed
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