SCHEMBL26870955

SCHEMBL26870955

CCOCOc1ccc(C2(c3ccc(OCC4CO4)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ TSHR P16473 4/20 0.49
▸ TP53 P04637 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ PKM P14618 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ GLA P06280 1/20 0.38
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL18974079 0.93 ALDH1A1 (0.46) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL26870931 0.88 TDP1 (0.59) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL25020811 0.84 ALDH1A1 (0.55) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL20727163 0.84 ALDH1A1 (0.55) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL18535693 0.84 ALDH1A1 (0.55) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL22604498 0.81 ALDH1A1 (0.53) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL14969345 0.81 TDP1 (0.54) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL24394464 0.81 TDP1 (0.54) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL5598711 0.81 TDP1 (0.54) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL23196479 0.81 ALDH1A1 (0.56) ALDH1A1TSHRTP53MAPTHPGD

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-11828685-B2 Syntactic foams as mechanically-triggered capture vehicles RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 — — US disclosed
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