SCHEMBL11223507

SCHEMBL11223507

C=CC(=O)OCC(O)COC(=O)c1cc2ccccc2cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 8/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ ADRB2 P07550 4/20 0.41
▸ ADRB1 P08588 4/20 0.41
▸ ADRB3 P13945 4/20 0.41

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
SCHEMBL11230610 0.84 ADRB2 (0.56) KMT2AALDH1A1TSHRLMNAHPGD
SCHEMBL5035248 0.83 TSHR (0.53) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL19316661 0.83 ADRB2 (0.40) SMN1; SMN2ALDH1A1TSHRADRB2ADRB1
SCHEMBL18382505 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMAPK1USP2KMT2A
SCHEMBL11662346 0.82 TDP1 (0.51) SMN1; SMN2MAPTMAPK1USP2KMT2A
SCHEMBL5387921 0.81 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMAPK1USP2KMT2A
SCHEMBL13374673 0.81 ADRB2 (0.60) MAPTKMT2AALDH1A1TSHRHPGD
SCHEMBL13135915 0.81 ADRB2 (0.60) SMN1; SMN2MAPTMAPK1KMT2AMEN1
SCHEMBL11221791 0.80 NPC1 (0.48) MAPTKMT2AMEN1LMNAHTT
SCHEMBL21603040 0.79 ALDH1A1 (0.49) ALDH1A1TSHRADRB2ADRB1ADRB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4354008-A CHELATING COMONOMER AND CHELATABLE TRANSITION METAL SALT NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1982-10-12 — — US claimed
US-4354008-A CHELATING COMONOMER AND CHELATABLE TRANSITION METAL SALT NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1982-10-12 — — US disclosed
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