SCHEMBL4407600

SCHEMBL4407600

C=Cc1ccncc1.CC(=CCCO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.35
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
AKR1C3 P42330 1/20 0.34
SNCA P37840 1/20 0.34
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CD81 P60033 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
KDM1A O60341 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL15637663 1.00 TBXAS1 (0.35) TBXAS1JUNNFKB1AKR1C3SNCA
Styrene SCHEMBL5662638 0.86 AKR1C3 (0.49) TBXAS1AKR1C3PPARGSMN1; SMN2BACE1
Styrene SCHEMBL5725939 0.86 AKR1C3 (0.49) TBXAS1AKR1C3PPARGSMN1; SMN2BACE1
SCHEMBL7258485 0.85 BCHE (0.35) TBXAS1JUNNFKB1AKR1C3SNCA
SCHEMBL15638413 0.83 TBXAS1 (0.44) TBXAS1JUNNFKB1SMN1; SMN2
SCHEMBL15638414 0.83 TBXAS1 (0.44) TBXAS1JUNNFKB1SMN1; SMN2
Styrene SCHEMBL5340494 0.82 AKR1C3 (0.45) TBXAS1AKR1C3PPARGSMN1; SMN2BACE1
Styrene SCHEMBL829551 0.82 AKR1C3 (0.45) TBXAS1AKR1C3PPARGSMN1; SMN2BACE1
Methacrylic Acid SCHEMBL9299147 0.81 JUN (0.38) JUNNFKB1SNCASMN1; SMN2PTGS2
Styrene SCHEMBL689868 0.81 AKR1C3 (0.44) TBXAS1AKR1C3PPARGSMN1; SMN2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906330-A1 COATED ION EXCHANGE MEMBRANES Evoqua Water Technologies LLC (US) 2015-08-19 EP disclosed
EP-2903737-A1 HIGH-PERFORMANCE ANION EXCHANGE MEMBRANES AND METHODS OF MAKING SAME Evoqua Water Technologies LLC (US) 2015-08-12 EP disclosed
WO-2014055123-A1 HIGH-PERFORMANCE ANION EXCHANGE MEMBRANES AND METHODS OF MAKING SAME EVOQUA WATER TECHNOLOGIES LLC (US) 2014-04-10 WO disclosed
EP-1341050-B1 Dispersing agent for pigment, pigment-dispersion composition, toner, and toner production process CANON KK (JP) 2009-12-30 EP disclosed
US-6790576-B2 CAPABLE OF FINELY DISPERSING A PIGMENT IN A DISPERSION MEDIUM CANON KABUSHIKI KAISHA (JP) 2004-09-14 US disclosed
US-20030181551-A1 Dispersing agent for pigment, pigment-dispersion composition, toner, and toner production process CANON KABUSHIKI KAISHA (JP) 2003-09-25 US disclosed
EP-1341050-A2 Dispersing agent for pigment, pigment-dispersion composition, toner, and toner production process CANON KABUSHIKI KAISHA (JP) 2003-09-03 EP disclosed