SCHEMBL6850874

SCHEMBL6850874

CC(C(=O)O)c1ccccc1N(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP12 P39900 2/20 0.42
MMP13 P45452 2/20 0.42
MMP14 P50281 2/20 0.42
MMP16 P51512 2/20 0.42
CXCL8 P10145 2/20 0.42
MMP1 P03956 1/20 0.42
PTGS2 P35354 7/20 0.42
PTGS1 P23219 5/20 0.41
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
MMP3 P08254 1/20 0.37
MAPT P10636 2/20 0.37
CXCR1 P25024 2/20 0.37

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
SCHEMBL288099 0.84 PTGS2 (0.45) MMP2MMP9MMP8MMP12MMP13
SCHEMBL9730118 0.81 MAPT (0.47) MMP2MMP9MMP8MMP12MMP13
SCHEMBL9730124 0.81 MAPT (0.47) MMP2MMP9MMP8MMP12MMP13
SCHEMBL21913733 0.79 GABRA1 (0.41) PTGS1ALDH1A1TSHRLMNAMAPT
SCHEMBL2204495 0.78 PTGS2 (0.56) MMP2MMP9MMP8MMP12MMP13
SCHEMBL949996 0.75 ALDH1A1 (0.37) ALDH1A1GLATSHRLMNAMAPT
SCHEMBL2634743 0.75 KMT2A (0.49) MMP2MMP9MMP8MMP12MMP13
SCHEMBL9748491 0.74 ALDH1A1 (0.39) ALDH1A1GLATSHRMAPTKDM4E
SCHEMBL5809269 0.74 TSHR (0.52) ALDH1A1GLATSHRLMNAMAPT
SCHEMBL16508372 0.74 PTGS2 (0.63) CXCL8PTGS2PTGS1ALDH1A1TSHR

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-1470597-A2 PHOTOVOLTAIC FIBERS Konarka Technologies, Inc. (US) 2004-10-27 EP disclosed
EP-1470563-A2 PHOTOVOLTAIC CELL COMPONENTS AND MATERIALS Konarka Technologies, Inc. (US) 2004-10-27 EP disclosed
WO-2003065393-A2 DISPLAYS WITH INTEGRATED PHOTOVOLTAIC CELLS KONARKA TECHNOLOGIES, INC. (US) 2003-08-07 WO disclosed
WO-2003065471-A2 PHOTOVOLTAIC FIBERS KONARKA TECHNOLOGIES, INC. (US) 2003-08-07 WO disclosed
WO-2003065394-A2 PHOTOVOLTAIC CELL COMPONENTS AND MATERIALS KONARKA TECHNOLOGIES, INC. (US) 2003-08-07 WO disclosed