SCHEMBL11297873

SCHEMBL11297873

O=C(O)C(CCCCCCn1ccnc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 1.00
CYP19A1 P11511 2/20 0.62
POLB P06746 1/20 0.52

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
Hydrochloric Acid SCHEMBL11276005 0.99 TBXAS1 (1.00) TBXAS1CYP19A1
SCHEMBL11295098 0.86 TBXAS1 (0.74) TBXAS1CYP19A1POLB
SCHEMBL11636280 0.83 TBXAS1 (0.71) TBXAS1CYP19A1
SCHEMBL11637474 0.83 TBXAS1 (0.71) TBXAS1CYP19A1
SCHEMBL7082419 0.80 TBXAS1 (0.67) TBXAS1CYP19A1POLB
SCHEMBL29239317 0.80 TBXAS1 (0.67) TBXAS1CYP19A1POLB
SCHEMBL10772703 0.78 TBXAS1 (0.66) TBXAS1CYP19A1
SCHEMBL14360139 0.78 TBXAS1 (0.60) TBXAS1POLB
SCHEMBL11758479 0.77 CYP19A1 (0.77) TBXAS1CYP19A1
SCHEMBL11274189 0.76 TBXAS1 (1.00) TBXAS1

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
US-4346099-A Carboxy-imidazole derivatives, compositions and use ONO PHARMACEUTICAL CO., LTD. (JP) 1982-08-24 US claimed