SCHEMBL11743153

SCHEMBL11743153

Cc1ncc(CO)c(CN[C@H](C(=O)O)[C@@H](C)O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ HPGD P15428 4/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ LMNA P02545 4/20 0.50
▸ GAA P10253 2/20 0.47
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PDXK O00764 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ AOX1 Q06278 1/20 0.43
▸ TRIM24 O15164 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL11744174 0.92 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11069786 0.90 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6282607 0.83 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL20214836 0.82 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL5364587 0.81 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7193519 0.79 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL18556353 0.77 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3786515 0.77 HPGD (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL18617699 0.77 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL472768 0.77 GAA (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA

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
US-4046879-A TOPICAL BOEHRINGER INGELHEIM GMBH (DT) 1977-09-06 — — US disclosed
Send feedback