SCHEMBL8945241

SCHEMBL8945241

O=C(O)COc1ccccc1-c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SLC22A6 Q4U2R8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46
ADAM17 P78536 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.44
MAPT P10636 3/20 0.43
BRD4 O60885 1/20 0.43
PBRM1 Q86U86 1/20 0.43
APAF1 O14727 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
MPO P05164 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
SCHEMBL27533778 0.85 SLC22A6 (0.58) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL4223719 0.77 SLC22A6 (0.69) SLC22A6MAPTPBRM1LMNA
SCHEMBL27876965 0.76 ALDH1A1 (0.76) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL11216214 0.75 KDM4E (0.54) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL4160688 0.75 MAPT (0.53) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL1137564 0.74 KDM4E (0.58) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL7806644 0.73 PTGDR2 (0.65) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL27494000 0.73 PDGFRB (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL27790479 0.73 MAPK1 (0.52) ALDH1A1SLC22A6MAPTBRD4PBRM1
SCHEMBL1947848 0.73 L3MBTL1 (0.72) KDM4EALDH1A1HPGDTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506117-A SPECTRAL ANALYSIS USING CHI-SQUARED MATHEMATICAL TECHIQUE TO DETERMINE UNKNOWN CONCENTRATION OF NUTRIENT IN A SAMPLE SO AS TO ADJUST CONCENTRATION OF NUTRIENT TO OPTIMIZE THE PROCESS CYTOKINETICS, INC. (US) 1996-04-09 US disclosed
WO-1995013394-A1 BIOCHEMICAL PROCESS FOR GROWING LIVING CELLS BY MEASURING THE AMOUNT OF NUTRIENT ADDED TO THE REACTION MEDIUM CYTOKINETIC, INC. (US) 1995-05-18 WO disclosed