SCHEMBL7288652

SCHEMBL7288652

CC(c1ccccc1)N1CC[C@@H](COCC(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.51
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CHRM4 P08173 1/20 0.44
PTGDR Q13258 2/20 0.43
CYP2D6 P10635 1/20 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
SCHEMBL7288640 1.00 PTGIR (0.51) PTGIRLMNASMN1; SMN2HTTMAPT
SCHEMBL7288649 1.00 PTGIR (0.51) PTGIRLMNASMN1; SMN2HTTMAPT
SCHEMBL7290617 1.00 PTGIR (0.51) PTGIRLMNASMN1; SMN2HTTMAPT
SCHEMBL844128 0.83 LMNA (0.52) LMNASMN1; SMN2HTTMAPTALDH1A1
SCHEMBL8564803 0.83 LMNA (0.52) LMNASMN1; SMN2HTTMAPTALDH1A1
SCHEMBL8566029 0.83 LMNA (0.52) LMNASMN1; SMN2HTTMAPTALDH1A1
SCHEMBL4673678 0.83 LMNA (0.52) LMNASMN1; SMN2HTTMAPTALDH1A1
SCHEMBL844722 0.81 LMNA (0.51) LMNASMN1; SMN2HTTMAPTALDH1A1
SCHEMBL6631278 0.81 LMNA (0.51) LMNASMN1; SMN2HTTMAPTALDH1A1
SCHEMBL1713427 0.78 LMNA (0.55) LMNASMN1; SMN2HTTMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928793-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-05-15 EP disclosed
US-6001855-A REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS HOFFMAN-LA ROCHE INC. (US) 1999-12-14 US disclosed
EP-0928793-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed