SCHEMBL29014452

SCHEMBL29014452

C=CC(=O)OC(=O)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.36
CYP24A1 Q07973 2/20 0.33
FAAH O00519 2/20 0.33
MGLL Q99685 2/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP19A1 P11511 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
NR1I2 O75469 1/20 0.30
NR3C1 P04150 1/20 0.30
HTR1A P08908 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CNR1 P21554 1/20 0.30
TBXA2R P21731 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL10986425 0.82 TBXAS1 (0.39) TBXAS1CYP24A1FAAHMGLLALDH1A1
SCHEMBL14870890 0.80 TSHR (0.46) TBXAS1CYP24A1ALDH1A1EGLN3
SCHEMBL28493511 0.78 TBXAS1 (0.38) TBXAS1CYP24A1FAAHMGLLALDH1A1
SCHEMBL27404668 0.76 HSD17B10 (0.37) TBXAS1CYP24A1ALDH1A1CYP19A1LMNA
SCHEMBL3321495 0.76 TBXAS1 (0.36) TBXAS1FAAHMGLLALDH1A1CYP19A1
SCHEMBL13086506 0.76 TBXAS1 (0.39) TBXAS1CYP24A1FAAHMGLLALDH1A1
SCHEMBL16728318 0.75
SCHEMBL2003497 0.75
SCHEMBL15591484 0.75 TSHR (0.37) ALDH1A1
SCHEMBL27557158 0.74 ALDH1A1 (0.33) TBXAS1CYP24A1ALDH1A1CYP19A1LMNA

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
CN-116082243-A Preparation method of unsaturated hydrocarbyloxycarbonyl imidazole 苏州祺添新材料有限公司 2023-05-09 CN disclosed