SCHEMBL9507072

SCHEMBL9507072

CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(CCC(=O)O)C1=O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.65
LMNA P02545 3/20 0.63
KMT2A Q03164 3/20 0.59
TSHR P16473 2/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43

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
SCHEMBL7799794 0.92 CYP2C19 (0.62) CYP2C19LMNAKMT2ATSHRMEN1
SCHEMBL8838995 0.92 CYP2C19 (0.62) CYP2C19LMNAKMT2ATSHRMEN1
SCHEMBL7045940 0.91 CYP2C19 (0.61) CYP2C19LMNAKMT2ATSHRMEN1
SCHEMBL8749863 0.91 CYP2C19 (0.61) CYP2C19LMNAKMT2ATSHRMEN1
SCHEMBL9622341 0.91 CYP2C19 (0.61) CYP2C19LMNAKMT2ATSHRMEN1
SCHEMBL11529161 0.86 CYP2C19 (0.68) CYP2C19LMNAKMT2ATSHRMEN1
SCHEMBL7776762 0.84 CYP2C19 (0.62) CYP2C19LMNAKMT2ATSHRMEN1
SCHEMBL5476349 0.83 CYP2C19 (0.72) CYP2C19LMNAKMT2ATSHRMEN1
SCHEMBL7775183 0.82 CYP2C19 (0.51) CYP2C19LMNAKMT2ATSHRMEN1
SCHEMBL7773269 0.81 CYP2C19 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285179-B1 FLUORESCENT DIAGNOSTIC ASSAY, ASSAY ELEMENTS, AND CONJUGATES BEHRING DIAGNOSTICS INC. (US) 1993-06-16 EP disclosed
US-4900686-A Fluorescent conjugates and biological diagnostic assay POLAROID CORPORATION (US) 1990-02-13 US disclosed
WO-1988007682-A1 FLUORESCENT CONJUGATES AND BIOLOGICAL DIAGNOSTIC ASSAY P B DIAGNOSTIC SYSTEMS, INC. (US) 1988-10-06 WO disclosed
EP-0285179-A2 Fluorescent diagnostic assay, assay elements, and conjugates BEHRING DIAGNOSTICS INC. (US) 1988-10-05 EP disclosed