SCHEMBL11295098

SCHEMBL11295098

CCOC(=O)C(CCCCCCn1ccnc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.74
CYP19A1 P11511 2/20 0.54
POLB P06746 1/20 0.49
QPCT Q16769 2/20 0.49
AMPD2 Q01433 1/20 0.48

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
SCHEMBL29239317 0.95 TBXAS1 (0.67) TBXAS1CYP19A1POLBQPCT
SCHEMBL11297873 0.86 TBXAS1 (1.00) TBXAS1CYP19A1POLB
Hydrochloric Acid SCHEMBL11276005 0.84 TBXAS1 (1.00) TBXAS1CYP19A1
SCHEMBL7117938 0.84 CYP26A1 (0.60) TBXAS1CYP19A1
SCHEMBL11274457 0.79 TBXAS1 (0.71) TBXAS1
SCHEMBL11274459 0.79 TBXAS1 (0.71) TBXAS1
SCHEMBL29239327 0.79 CYP19A1 (0.54) TBXAS1CYP19A1
SCHEMBL29239312 0.78 CYP26A1 (0.53) TBXAS1CYP19A1POLBQPCT
SCHEMBL29239330 0.78 CYP26A1 (0.51) TBXAS1CYP19A1
SCHEMBL11637474 0.78 TBXAS1 (0.71) TBXAS1CYP19A1QPCT

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 disclosed