SCHEMBL8634552

SCHEMBL8634552

CCOC(=O)C(Cc1ccccn1)(OC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
METAP1 P53582 1/20 0.39
FDPS P14324 1/20 0.39

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
SCHEMBL8629786 0.88 KDM4E (0.45) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5140898 0.78 CYP1A2 (0.48) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL5862781 0.78 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL7810409 0.76 ALDH1A1 (0.45) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL8634964 0.74 NAMPT (0.46) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL8631399 0.73 LMNA (0.45) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL9226679 0.73 SMN1; SMN2 (0.43) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL11168807 0.72 POLB (0.42) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL5862688 0.72 SMN1; SMN2 (0.53) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5861519 0.72 TRPM8 (0.47) ALDH1A1KDM4ELMNAMAPTNPC1

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
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed