SCHEMBL9857495

SCHEMBL9857495

OCCOc1cccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1OCCO

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTR7 P34969 1/20 0.46
ALDH1A1 P00352 3/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 5/20 0.44
ADRB2 P07550 4/20 0.44
ADRB1 P08588 1/20 0.42

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
SCHEMBL5672371 0.96 TP53 (0.51) TP53MAPK1RAB9ALMNAHTT
SCHEMBL10595571 0.87 ADRB2 (0.49) TP53MAPK1RAB9ALMNASMN1; SMN2
SCHEMBL9778200 0.87 KMT2A (0.50) TP53MAPK1RAB9ALMNAHTT
SCHEMBL9857798 0.85 TP53 (0.65) TP53MAPK1RAB9ALMNAHTT
SCHEMBL10597789 0.85 KDM4E (0.49) TP53MAPK1RAB9ALMNASMN1; SMN2
SCHEMBL4254195 0.85 ALDH1A1 (0.56) TP53MAPK1RAB9ALMNAHTT
SCHEMBL10598828 0.84 KDM4E (0.48) TP53MAPK1RAB9ALMNASMN1; SMN2
SCHEMBL10596914 0.83 PTPN11 (0.49) TP53MAPK1RAB9ALMNASMN1; SMN2
SCHEMBL10596503 0.83 PTPN11 (0.49) TP53MAPK1RAB9ALMNASMN1; SMN2
SCHEMBL10597509 0.83 PTPN11 (0.49) TP53MAPK1RAB9ALMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420619-A2 Engineering plastic composition and articles made of the same SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-04-03 EP disclosed
EP-0344099-A2 A polyester and an article made of the same SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed