SCHEMBL27461128

SCHEMBL27461128

CCOC(=O)[C@H](C[C]=O)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.50
CTSK P43235 7/20 0.48
CTSS P25774 5/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 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
SCHEMBL4862125 0.89 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL18397664 0.86 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL20594751 0.86 CTSS (0.57) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL4657580 0.85 CTSK (0.57) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL12069015 0.83 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL12071191 0.83 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL12070120 0.83 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2617389 0.83 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7641486 0.83 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL27581318 0.83 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2

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
CN-1143859-C Camptothecin derivative and its preparation ������ҩ��ʽ���� 2004-03-31 CN disclosed
CN-1075501-C Camptothecin derivatives, preparation method, intermediate and application TANABE SEIYAKU CO (JP) 2001-11-28 CN disclosed
CN-1308078-A Camptothecin derivative and its preparation TANADE SEIYAKU CO LTD (JP) 2001-08-15 CN disclosed
CN-1145365-A Camptothecin derivatives TANABE SEIYAKU CO (JP) 1997-03-19 CN disclosed