SCHEMBL7048435

SCHEMBL7048435

O=C(O)NC(CCCCC(=O)ON1C(=O)CCC1=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 9/20 0.43
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SMAD3 P84022 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PRMT1 Q99873 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ NAALAD2 Q9Y3Q0 4/20 0.39
▸ KCNH2 Q12809 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ MMP14 P50281 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL321053 0.90 FTO (0.42) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL30366389 0.79 ALB (0.49) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL3201232 0.79 ALB (0.49) FTOHPGDMEN1MAPTCYP2C19
Fluorescein SCHEMBL29996358 0.77 FTO (0.52) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL592690 0.76 FTO (0.49) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL15347554 0.75 FTO (0.43) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL22295453 0.74 FTO (0.55) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL29501272 0.73 FTO (0.56) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL164316 0.73 FTO (0.56) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL29995636 0.73 FTO (0.56) FTOHPGDMEN1MAPTCYP2C19

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
EP-1487862-A2 POLYMER SUPPORTED REAGENTS FOR NATURAL PRODUCTS PURIFICATION Pharmacia Italia S.p.A. (IT) 2004-12-22 — — EP disclosed
WO-2003078454-A2 POLYMER SUPPORTED REAGENTS FOR NATURAL PRODUCTS PURIFICATION PHARMACIA ITALIA SPA (IT) 2003-09-25 — — WO disclosed
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