SCHEMBL21670982

SCHEMBL21670982

C1=CC(OCC2CO2)CC=C1C(c1ccc(OCC2CO2)cc1)C(C1=CC=C(OCC2CO2)CC1)c1ccc(OCC2CO2)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.33
▸ TP53 P04637 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP3A4 P08684 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21670990 0.83 — —
SCHEMBL24245304 0.79 TDP1 (0.42) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL19439769 0.75 TP53 (0.40) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL17902747 0.74 TDP1 (0.46) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL13388879 0.74 TDP1 (0.34) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL22294896 0.67 TDP1 (0.63) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL16488801 0.67 TDP1 (0.63) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL31450 0.67 TDP1 (0.63) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL22200965 0.65 ALDH1A1 (0.61) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL18535777 0.63 ALDH1A1 (0.61) TDP1TP53TSHRALDH1A1MAPT

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-3080170-B1 INSERTION POLYNORBORNENE-BASED THERMOSET RESINS TRANSFERT PLUS SEC (CA) 2020-02-05 — — EP disclosed
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