SCHEMBL8018845

SCHEMBL8018845

CCOC(=O)C(CC)(Cc1cccc(N)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
RECQL P46063 1/20 0.43
MMP8 P22894 1/20 0.43
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
PIN1 Q13526 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL17460412 0.86 ALDH1A1 (0.56) ALDH1A1RECQLMMP8SMN1; SMN2MEN1
SCHEMBL7260552 0.83 LMNA (0.46) ALDH1A1RECQLMMP8SMN1; SMN2MEN1
SCHEMBL7435532 0.79 ALDH1A1 (0.59) ALDH1A1RECQLMMP8SMN1; SMN2TSHR
SCHEMBL29256551 0.77 ALDH1A1 (0.54) ALDH1A1RECQLMMP8SMN1; SMN2PIN1
SCHEMBL4419400 0.76 ALDH1A1 (0.62) ALDH1A1RECQLMMP8SMN1; SMN2TSHR
SCHEMBL1522684 0.76 ALDH1A1 (0.58) ALDH1A1RECQLMMP8SMN1; SMN2MEN1
SCHEMBL27385611 0.76 PTPN1 (0.56) ALDH1A1RECQLMMP8SMN1; SMN2MEN1
SCHEMBL6774685 0.75 ALDH1A1 (0.73) ALDH1A1RECQLMMP8PPARAPPARG
SCHEMBL13721608 0.74 MMP8 (0.47) ALDH1A1RECQLMMP8PPARAPPARG
SCHEMBL6938826 0.74 ALDH1A1 (0.47) ALDH1A1RECQLMMP8SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6099625-A Ink composition ZENECA LIMITED (GB) 2000-08-08 US disclosed
EP-0823927-A2 INK COMPOSITION ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996034916-A2 INK COMPOSITION ZENECA LIMITED (GB) 1996-11-07 WO disclosed