SCHEMBL20590551

SCHEMBL20590551

CC(OCC1CO1)Oc1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ GLA P06280 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TP53 P04637 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PKM P14618 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL2829820 0.84 ALDH1A1 (0.41) ALDH1A1GLATDP1TP53TSHR
SCHEMBL2719930 0.84 ALDH1A1 (0.41) ALDH1A1GLATDP1TP53TSHR
SCHEMBL20590520 0.80 ALDH1A1 (0.44) ALDH1A1GLATDP1TP53TSHR
SCHEMBL2718913 0.79 TSHR (0.38) ALDH1A1GLATDP1TP53TSHR
SCHEMBL3958467 0.74 TDP1 (0.66) ALDH1A1GLATDP1TP53TSHR
SCHEMBL322235 0.74 LMNA (0.42) LMNA
SCHEMBL134200 0.74 TDP1 (0.66) ALDH1A1GLATDP1TP53TSHR
SCHEMBL27904123 0.74 TDP1 (0.66) ALDH1A1GLATDP1TP53TSHR
SCHEMBL2720930 0.74 PPARG (0.36) ALDH1A1GLATDP1TP53TSHR
SCHEMBL9674064 0.73 — —

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-3312224-B1 POLYAMIDE MOULDING COMPOSITION AND MULTI-LAYERED STRUCTURE MADE HEREFROM EMS PATENT AG (CH) 2018-12-26 — — EP claimed
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