SCHEMBL10367385

SCHEMBL10367385

CCCC(=O)OCn1cnc2c(cnn2COC(=O)CCC)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPC1 O15118 6/20 0.45
▸ TSHR P16473 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TNF P01375 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 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
SCHEMBL10369777 0.84 NPC1 (0.46) RAB9AKMT2AALDH1A1MEN1NPC1
SCHEMBL11382208 0.73 SMN1; SMN2 (0.62) MAPTSMN1; SMN2LMNAMAPK1POLB
SCHEMBL5481067 0.70 FSCN1 (0.49) RAB9AKMT2AALDH1A1HTTNPC1
SCHEMBL10366568 0.70 TNF (0.36) RAB9AKMT2AALDH1A1MEN1MAPT
SCHEMBL10369728 0.69 MAPT (0.45) RAB9AKMT2AALDH1A1MEN1MAPT
SCHEMBL11385374 0.68 PDE1A (0.56) SMN1; SMN2LMNA
SCHEMBL10367280 0.68 MAPT (0.52) RAB9AKMT2AALDH1A1MEN1MAPT
SCHEMBL11380345 0.67 MAPK1 (0.61) MAPTSMN1; SMN2LMNACYP1A2TNF
SCHEMBL3175013 0.66 FSCN1 (0.51) RAB9AKMT2AALDH1A1MEN1MAPT
SCHEMBL11385104 0.66 MAPK1 (0.60) KMT2AMEN1MAPTSMN1; SMN2LMNA

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-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
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