SCHEMBL7260552

SCHEMBL7260552

CCOC(=O)C(CC)(Cc1ccc(N)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
PPID Q08752 2/20 0.46
PPIB P23284 1/20 0.46
PPIA P62937 1/20 0.46
PPIG Q13427 1/20 0.46
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
MMP8 P22894 1/20 0.43
PTPN1 P18031 4/20 0.43
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPRB P23467 4/20 0.41
ACP1 P24666 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL17460412 0.88 ALDH1A1 (0.56) LMNACYP1A2PPIDALDH1A1RECQL
SCHEMBL2987840 0.84 PTPN1 (0.42) LMNACYP1A2CYP3A4MAOAPPID
SCHEMBL8018845 0.83 ALDH1A1 (0.43) LMNACYP1A2CYP3A4MAOAALDH1A1
SCHEMBL7266498 0.82 ALDH1A1 (0.46) LMNACYP1A2ALDH1A1KMT2ACYP2C19
SCHEMBL7435532 0.81 ALDH1A1 (0.59) LMNAPPIDALDH1A1RECQLMMP8
SCHEMBL2370973 0.78 MMP8 (0.59) LMNACYP1A2CYP3A4MAOAPPID
SCHEMBL4419400 0.77 ALDH1A1 (0.62) LMNAPPIDALDH1A1RECQLMMP8
SCHEMBL1522684 0.77 ALDH1A1 (0.58) LMNACYP1A2PPIDALDH1A1RECQL
SCHEMBL27385611 0.77 PTPN1 (0.56) CYP3A4ALDH1A1RECQLMMP8PTPN1
SCHEMBL3629075 0.76 LMNA (0.50) LMNACYP1A2CYP3A4MAOAPPID

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-6534513-B1 Antiinflammatory agents and fibronectins CELLTECH R&D LIMITED (GB) 2003-03-18 US disclosed