SCHEMBL9839495

SCHEMBL9839495

C=C(C)C(=O)OCCCCN(CCCCCC)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PTGS2 P35354 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 1/20 0.39
LSS P48449 2/20 0.39
PPARG P37231 1/20 0.39
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
MGLL Q99685 1/20 0.38
POLB P06746 1/20 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
SCHEMBL9655692 0.96 LSS (0.41) TSHRMAPTMEN1KMT2APTGS2
SCHEMBL9655690 0.88 PPARG (0.46) MAPTMEN1KMT2APTGS2LMNA
SCHEMBL9650794 0.87 MAPT (0.48) TSHRMAPTMEN1KMT2APTGS2
SCHEMBL9650790 0.87 MAPT (0.48) TSHRMAPTMEN1KMT2APTGS2
SCHEMBL9798398 0.84 TSHR (0.39) TSHRNPSR1CACNA1FCACNA1DCACNA1S
SCHEMBL9358492 0.84 MAPT (0.55) MAPTMEN1KMT2APTGS2LMNA
SCHEMBL592174 0.84 MAPT (0.55) MAPTMEN1KMT2APTGS2LMNA
SCHEMBL9358488 0.84 MAPT (0.55) MAPTMEN1KMT2APTGS2LMNA
SCHEMBL592173 0.84 MAPT (0.55) MAPTMEN1KMT2APTGS2LMNA
SCHEMBL9362316 0.83 MAPT (0.56) MAPTMEN1KMT2APTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991003002-A1 PHOTO-CROSSLINKED POLYMERS FOR NON-LINEAR OPTICS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 WO disclosed