SCHEMBL24245304

SCHEMBL24245304

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ TP53 P04637 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP3A4 P08684 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRM2 Q14416 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ SRC P12931 1/20 0.31

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
SCHEMBL19439769 0.85 TP53 (0.40) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL13388879 0.80 TDP1 (0.34) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL21670990 0.80 — —
SCHEMBL21670982 0.79 TDP1 (0.33) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL17359243 0.77 TDP1 (0.63) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL15246778 0.77 TDP1 (0.63) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL17356545 0.77 TDP1 (0.63) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL14388708 0.77 TDP1 (0.63) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL50130 0.77 TDP1 (0.63) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL20727180 0.76 ALDH1A1 (0.42) TDP1ALDH1A1TP53TSHRMAPT

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-3951498-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, POSITIVE PHOTOSENSITIVE DRY FILM, METHOD FOR PRODUCING POSITIVE PHOTOSENSITIVE DRY FILM, PATTERNING PROCESS, METHOD FOR FORMING CURED FILM, INTERLAYER INSULATION FILM, SURFACE PROTECTIVE FILM, AND ELECTRONIC COMPONENT Shin-Etsu Chemical Co., Ltd. (JP) 2022-02-09 — — EP disclosed
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