SCHEMBL20154868

SCHEMBL20154868

C=C(C[S+]([O-])c1ccc(C)cc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTBP2 P56545 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
SRD5A2 P31213 1/20 0.32
LMNA P02545 1/20 0.32
AKR1C3 P42330 2/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSK3B P49841 1/20 0.32
POLB P06746 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL9456919 0.82 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL9456923 0.82 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL30929941 0.82 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL9457024 0.82 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL18216537 0.81 DHODH (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL254515 0.78 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL20925336 0.75 NPC1 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL9843698 0.74 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL9843695 0.74 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL30828001 0.74 TDP1 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1

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
EP-3321331-B1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA GEVAERT (BE) 2020-10-21 EP disclosed
WO-2018087059-A1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT N.V. (BE) 2018-05-17 WO disclosed