SCHEMBL7336552

SCHEMBL7336552

CCOC(=O)c1ccc(COC(=O)CNc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 4/20 0.54
MAPT P10636 6/20 0.53
RAB9A P51151 5/20 0.53
GAA P10253 2/20 0.52
NPC1 O15118 2/20 0.52
KMT2A Q03164 5/20 0.52
NAMPT P43490 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 3/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
LMNA P02545 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL30807828 0.86 RAB9A (0.60) PKMSMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL24077783 0.86 RAB9A (0.60) PKMSMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL7339369 0.85 ALDH1A1 (0.58) PKMSMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL7338663 0.83 TSHR (0.65) SMN1; SMN2ALDH1A1MAPTRAB9AGAA
SCHEMBL62534 0.83 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AL3MBTL1MEN1
SCHEMBL27996234 0.82 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1MAPTRAB9AGAA
Hydrochloric Acid SCHEMBL27368126 0.81 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AL3MBTL1MEN1
SCHEMBL62893 0.81 POLB (0.60) SMN1; SMN2ALDH1A1MAPTRAB9AGAA
SCHEMBL11408485 0.80 KMT2A (0.76) PKMSMN1; SMN2ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL133175 0.80 POLB (0.59) SMN1; SMN2ALDH1A1MAPTRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622984-A INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES ONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-22 US disclosed
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5432178-A Substituted benzoic acid esters; use to prevent or treat inflammatory diseases, allergic diseases, disseminated intravascular coagulation, pancreatitis or multiple organ failure ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed