SCHEMBL7773269

SCHEMBL7773269

CCC1(c2ccccc2)C(=O)NC(=O)N(CCCCC(=O)NCCCNC(=O)CCC(=O)O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
LMNA P02545 3/20 0.48
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.39
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL7769133 0.90 LMNA (0.51) CYP2C19LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7776791 0.90 CYP2C19 (0.52) CYP2C19LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7769114 0.90 CYP2C19 (0.46) CYP2C19LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL8749863 0.87 CYP2C19 (0.61) CYP2C19LMNAKMT2ATSHRCYP1A2
SCHEMBL9622341 0.87 CYP2C19 (0.61) CYP2C19LMNAKMT2ATSHRCYP1A2
SCHEMBL7045940 0.87 CYP2C19 (0.61) CYP2C19LMNAKMT2ATSHRCYP1A2
SCHEMBL9301792 0.86 SMN1; SMN2 (0.43) CYP2C19LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7769141 0.86 CYP2C19 (0.49) CYP2C19LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL9301436 0.84 SMN1; SMN2 (0.45) CYP2C19LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7799794 0.84 CYP2C19 (0.62) CYP2C19LMNAKMT2ATSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517325-B1 Drug hapten analogues for immunoassays JOHNSON & JOHNSON CLIN DIAG (US) 2001-10-31 EP disclosed
EP-0517327-B1 Immunoassay with labeled hapten analogues JOHNSON & JOHNSON CLIN DIAG (US) 2001-08-16 EP disclosed
EP-0517326-B1 Labeled drug hapten analogues for immunoassays JOHNSON & JOHNSON CLIN DIAG (US) 2001-08-16 EP disclosed
US-5601994-A Immunoassay with novel labeled drug hapten analogues JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1997-02-11 US disclosed
US-5298403-A Having hydantoin or barbiturate nucleus EASTMAN KODAK COMPANY (US) 1994-03-29 US disclosed
US-5284948-A Drug hapten analogues for immunoassays EASTMAN KODAK COMPANY (US) 1994-02-08 US disclosed
EP-0517326-A2 Labeled drug hapten analogues for immunoassays Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-12-09 EP disclosed
EP-0517327-A2 Immunoassay with labeled hapten analogues Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-12-09 EP disclosed