SCHEMBL4407029

SCHEMBL4407029

C=C(C)C(=O)CC(O)COc1ccc(C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A3 P47895 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL7514064 0.85 POLB (0.53) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL2420628 0.84 ALDH1A1 (0.52) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL11213755 0.84 MAPT (0.51) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL11040659 0.82 LMNA (0.50) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL941493 0.82 MAPT (0.50) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL244204 0.81 HTT (0.55) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL8356481 0.80 MAPT (0.46) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL10694902 0.80 ALDH1A1 (0.62) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL11234897 0.80 KMT2A (0.51) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL11139586 0.80 FFAR1 (0.47) MAPTPOLBLMNANPSR1SMN1; SMN2

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-1788044-B1 Ink-jet ink, ink-jet ink set, and ink-jet recording method KONICA MINOLTA HOLDINGS INC (JP) 2009-12-23 EP disclosed
EP-1788044-A1 Ink-jet ink, ink-jet ink set, and ink-jet recording method KONICA MINOLTA HOLDINGS, INC. (JP) 2007-05-23 EP disclosed
US-20070109375-A1 INK-JET INK, INK-JET INK SET AND INK-JET RECORDING METHOD KONICA MINOLTA HOLDINGS, INC. (JP) 2007-05-17 US disclosed