SCHEMBL9710910

SCHEMBL9710910

C/C(=C\c1ccc(C2OCCO2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
TBXAS1 P24557 5/20 0.39
MAPK1 P28482 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
NR4A2 P43354 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL9710913 1.00 AKR1C3 (0.53) AKR1C3TBXAS1MAPK1PKMMEN1
SCHEMBL2462983 0.78 AKR1C3 (0.82) AKR1C3TBXAS1HTTALDH1A1GLA
SCHEMBL2462984 0.78 AKR1C3 (0.82) AKR1C3TBXAS1HTTALDH1A1GLA
SCHEMBL1088771 0.75 AKR1C3 (0.55) AKR1C3TBXAS1MEN1KMT2AHTT
SCHEMBL1088772 0.75 AKR1C3 (0.55) AKR1C3TBXAS1MEN1KMT2AHTT
SCHEMBL1089451 0.74 AKR1C3 (0.53) AKR1C3TBXAS1MEN1KMT2AHTT
SCHEMBL1088972 0.74 AKR1C3 (0.53) AKR1C3TBXAS1MEN1KMT2AHTT
SCHEMBL1088970 0.74 AKR1C3 (0.53) AKR1C3TBXAS1MEN1KMT2AHTT
SCHEMBL1089453 0.74 AKR1C3 (0.53) AKR1C3TBXAS1MEN1KMT2AHTT
SCHEMBL1089129 0.73 AKR1C3 (0.51) AKR1C3TBXAS1MAPK1PKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992015625-A1 POLYMERIC NITRONES HAVING AN ACRYLIC BACKBONE CHAIN ALLIED-SIGNAL INC. (US) 1992-09-17 WO disclosed