SCHEMBL9065978

SCHEMBL9065978

CCCC[N+]([O-])=Cc1ccc(C=C(C)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
TBXAS1 P24557 5/20 0.39
LMNA P02545 2/20 0.36
TRPA1 O75762 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
FBP1 P09467 2/20 0.34
MEN1 O00255 1/20 0.34
JAK2 O60674 1/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
NTSR1 P30989 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ELANE P08246 1/20 0.34
APEX1 P27695 1/20 0.33
PLA2G4A P47712 1/20 0.32

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
SCHEMBL264463 0.76 G6PD (0.38) LMNATDP1FBP1ALDH1A1MAPT
SCHEMBL39273 0.76 G6PD (0.38) LMNATDP1FBP1ALDH1A1MAPT
SCHEMBL986697 0.74 AKR1C3 (0.55) AKR1C3TBXAS1ALDH1A1
SCHEMBL2462984 0.74 AKR1C3 (0.82) AKR1C3TBXAS1TDP1ALDH1A1APEX1
SCHEMBL2462983 0.74 AKR1C3 (0.82) AKR1C3TBXAS1TDP1ALDH1A1APEX1
SCHEMBL9580653 0.73 AKR1C3 (0.53) AKR1C3TBXAS1TDP1FBP1ALDH1A1
SCHEMBL9065427 0.72 AKR1C3 (0.61) AKR1C3TBXAS1FBP1ALDH1A1MAPT
SCHEMBL10696828 0.71 FBP1 (0.44) LMNATRPA1FBP1ALDH1A1CYP1A2
SCHEMBL15442885 0.71 AKR1C3 (0.50) AKR1C3TBXAS1MEN1ALDH1A1MAPT
Butylamine SCHEMBL5617149 0.71 AKR1C3 (0.50) AKR1C3TBXAS1LMNATRPA1ALDH1A1

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-0574519-B1 POLYMERIC NITRONES HAVING AN ACRYLIC BACKBONE CHAIN ALLIED SIGNAL INC (US) 1996-04-10 EP disclosed
EP-0574519-A1 POLYMERIC NITRONES HAVING AN ACRYLIC BACKBONE CHAIN. ALLIED SIGNAL INC (US) 1993-12-22 EP disclosed
WO-1992015625-A1 POLYMERIC NITRONES HAVING AN ACRYLIC BACKBONE CHAIN ALLIED-SIGNAL INC. (US) 1992-09-17 WO disclosed