SCHEMBL6852250

SCHEMBL6852250

[CH2]/C=C/c1ccc(-c2cccs2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.61
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 6/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
GAA P10253 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 3/20 0.49
GLA P06280 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL19721713 0.88 DPP4 (0.69) DPP4ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL30375911 0.88 DPP4 (0.69) DPP4ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL769251 0.81 DPP4 (0.61) DPP4ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL13978511 0.81 DPP4 (0.61) DPP4ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL8575384 0.81 DPP4 (0.61) DPP4ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL976528 0.81 DPP4 (0.65) DPP4ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL769311 0.80 DPP4 (0.64) DPP4ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL8573710 0.80 DPP4 (0.64) DPP4ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL22763311 0.80 DPP4 (0.64) DPP4ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL975461 0.79 DPP4 (0.68) DPP4ALDH1A1KDM4EL3MBTL1GAA

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
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed