SCHEMBL9414537

SCHEMBL9414537

Oc1ccccc1CCn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.56
TBXAS1 P24557 4/20 0.56
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
HRH3 Q9Y5N1 1/20 0.47
HMOX1 P09601 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL28538881 0.90 CYP19A1 (0.51) CYP19A1TBXAS1
SCHEMBL15179017 0.88 CYP19A1 (0.64) CYP19A1TBXAS1CYP11B1CYP11B2HMOX1
SCHEMBL8050377 0.83 CYP11B1 (0.65) CYP19A1TBXAS1CYP11B1CYP11B2POLB
Bromide SCHEMBL10941970 0.81 CYP11B1 (0.63) CYP19A1TBXAS1CYP11B1CYP11B2POLB
SCHEMBL11607374 0.80 ALDH1A1 (0.57) CYP19A1TBXAS1CYP11B1CYP11B2POLB
SCHEMBL6992090 0.80 CYP11B1 (0.71) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL15173640 0.80 CYP19A1 (0.56) CYP19A1TBXAS1CYP11B1CYP11B2HMOX1
SCHEMBL27311222 0.80 CYP19A1 (0.56) CYP19A1TBXAS1CYP11B1CYP11B2HMOX1
SCHEMBL10651065 0.78 CYP19A1 (0.57) CYP19A1TBXAS1
SCHEMBL5188946 0.78 CYP11B1 (0.46) CYP19A1TBXAS1CYP11B1CYP11B2

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
EP-0600315-A1 Use of bentylimidazolyl derivatives as microbiocides for protecting materials BAYER AG (DE) 1994-06-08 EP disclosed