SCHEMBL29239308

SCHEMBL29239308

CCOC(=O)CCCCc1ccc(Cn2ccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.62
ALDH1A1 P00352 1/20 0.57
ABL1 P00519 1/20 0.57
RIN1 Q13671 1/20 0.57
CYP19A1 P11511 4/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
AGTR2 P50052 1/20 0.51
PLA2G4A P47712 1/20 0.49

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
SCHEMBL11477428 0.96 TBXAS1 (0.67) TBXAS1ALDH1A1ABL1RIN1CYP19A1
SCHEMBL11474932 0.91 TBXAS1 (0.67) TBXAS1ALDH1A1ABL1RIN1CYP19A1
SCHEMBL10851510 0.86 TBXAS1 (0.67) TBXAS1ALDH1A1ABL1RIN1CYP19A1
SCHEMBL11475103 0.85 CYP11B1 (0.54) TBXAS1ALDH1A1ABL1RIN1CYP19A1
SCHEMBL29239321 0.83 TBXAS1 (0.70) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11487884 0.80 CYP11B1 (0.56) TBXAS1ALDH1A1ABL1RIN1CYP19A1
SCHEMBL10657236 0.79 TBXAS1 (0.74) TBXAS1CYP19A1CYP11B1CYP11B2PLA2G4A
SCHEMBL10851021 0.79 CYP19A1 (0.54) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11484688 0.79 TBXAS1 (0.68) TBXAS1ALDH1A1CYP19A1
SCHEMBL14499226 0.79 TBXAS1 (0.60) TBXAS1ALDH1A1ABL1RIN1

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-118005563-A N-benzyl imidazole derivative and preparation method and application thereof 中国药科大学 2024-05-10 CN disclosed