SCHEMBL10366568

SCHEMBL10366568

CCCC(=O)OCn1cnc2[nH][n+](COC(=O)CCC)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 8/20 0.36
▸ LMNA P02545 2/20 0.35
▸ RAB9A P51151 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL10369240 0.87 NPC1 (0.31) LMNARAB9ANPC1TP53HDAC6
SCHEMBL10369567 0.85 ADORA2B (0.34) LMNARAB9ANPC1TP53MEN1
SCHEMBL10366971 0.79 KMT2A (0.32) KMT2ACYP1A2CYP2D6SMN1; SMN2
SCHEMBL10367385 0.70 RAB9A (0.46) TNFLMNARAB9ANPC1TP53
SCHEMBL11382208 0.64 SMN1; SMN2 (0.62) LMNAMAPTSMN1; SMN2
SCHEMBL6277232 0.60 DUT (0.49) LMNAALDH1A1
SCHEMBL5479694 0.59 LMNA (0.67) TNFLMNAMEN1KMT2ACYP1A2
SCHEMBL11380345 0.58 MAPK1 (0.61) TNFLMNAMAPTCYP1A2SMN1; SMN2
SCHEMBL14340497 0.58 KMT2A (0.51) TNFLMNAMEN1ALDH1A1MAPT
SCHEMBL20969072 0.55 ALDH1A1 (0.46) LMNAMEN1ALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0148883-B1 ALLOPURINOL PRODRUGS A/S GEA Farmaceutisk Fabrik (DK) 1990-02-14 — — EP disclosed
US-4694006-A Acyl- or acyloxymethyl-allopurinol prodrugs A/S GEA (DK) 1987-09-15 — — US disclosed
EP-0148883-A1 ALLOPURINOL PRODRUGS. GEA AS (DK) 1985-07-24 — — EP disclosed
WO-1985000368-A1 ALLOPURINOL PRODRUGS A/S GEA (DK) 1985-01-31 — — WO disclosed
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