SCHEMBL7813558

SCHEMBL7813558

CCC1(c2ccccc2)C(=O)NC(=O)N(CCCCC(=O)N2CCN(C(=O)CCC(=O)ON3C(=O)CCC3=O)CC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.41
MMP2 P08253 11/20 0.37
MMP9 P14780 11/20 0.37
MMP8 P22894 10/20 0.36
MMP13 P45452 10/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL7775183 0.87 CYP2C19 (0.51) CYP2C19LMNAKMT2AMMP2MMP9
SCHEMBL9301792 0.86 SMN1; SMN2 (0.43) CYP2C19LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL9301436 0.85 SMN1; SMN2 (0.45) CYP2C19LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL9302983 0.84 SMN1; SMN2 (0.42) CYP2C19LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7775187 0.83 CYP2C19 (0.51) CYP2C19LMNAKMT2AMMP2MMP9
SCHEMBL7028231 0.83 SIGMAR1 (0.48)
SCHEMBL7773261 0.81 CYP2C19 (0.50) CYP2C19LMNAKMT2AGAAALDH1A1
SCHEMBL7524932 0.81 CYP2C19 (0.42) CYP2C19LMNAKMT2AMMP2MMP9
SCHEMBL9622341 0.78 CYP2C19 (0.61) CYP2C19LMNAKMT2AMMP2MMP9
SCHEMBL7045940 0.78 CYP2C19 (0.61) CYP2C19LMNAKMT2AMMP2MMP9

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 5 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
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