SCHEMBL7769141

SCHEMBL7769141

CCC1(c2ccccc2)C(=O)NC(=O)N(CCCCC(=O)NCCCNC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
HTT P42858 1/20 0.44
FOLH1 Q04609 1/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CAPN1 P07384 1/20 0.40

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
SCHEMBL7773269 0.86 CYP2C19 (0.50) CYP2C19HDAC3HDAC4HDAC1HDAC7
SCHEMBL7769133 0.84 LMNA (0.51) CYP2C19HDAC3HDAC4HDAC1HDAC7
SCHEMBL7776791 0.84 CYP2C19 (0.52) CYP2C19HDAC3HDAC4HDAC1HDAC7
SCHEMBL7769114 0.82 CYP2C19 (0.46) CYP2C19HTTLMNAKMT2ASMN1; SMN2
SCHEMBL9301792 0.81 SMN1; SMN2 (0.43) CYP2C19HDAC4HDAC1HDAC2HDAC6
SCHEMBL7773254 0.80 NPC1 (0.48) HTTSMN1; SMN2ALDH1A1TGM2
SCHEMBL9301436 0.79 SMN1; SMN2 (0.45) CYP2C19HDAC3HDAC4HDAC1HDAC7
SCHEMBL9301787 0.78 CYP2C19 (0.41) CYP2C19HTTLMNAKMT2ASMN1; SMN2
SCHEMBL9622341 0.78 CYP2C19 (0.61) CYP2C19LMNAKMT2A
SCHEMBL7045940 0.78 CYP2C19 (0.61) CYP2C19LMNAKMT2A

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 9 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-0517326-B1 Labeled drug hapten analogues for immunoassays JOHNSON & JOHNSON CLIN DIAG (US) 2001-08-16 EP disclosed
EP-0517327-B1 Immunoassay with labeled hapten analogues 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
EP-0517325-A2 Drug hapten analogues for immunoassays Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-12-09 EP disclosed