Sugi Predict

Sugi Predict / Compounds / SCHEMBL10596279

SCHEMBL10596279

SCHEMBL10596279

CC1(C)CCc2ccccc2C1n1cncc1OC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 4/20 0.35
▸ IDO1 P14902 12/20 0.34
▸ CYP3A4 P08684 5/20 0.34
▸ TDO2 P48775 5/20 0.34
▸ ACE P12821 1/20 0.31

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
SCHEMBL9533729 0.89 IDO1 (0.34) CYP11B2IDO1CYP3A4TDO2
SCHEMBL10699956 0.89 CYP11B2 (0.36) CYP11B2IDO1CYP3A4TDO2
SCHEMBL10648754 0.83 CYP11B2 (0.41) CYP11B2IDO1CYP3A4TDO2ACE
SCHEMBL2819780 0.80 CYP11B2 (0.45) CYP11B2IDO1CYP3A4TDO2
SCHEMBL2819775 0.80 CYP11B2 (0.45) CYP11B2IDO1CYP3A4TDO2
SCHEMBL2822367 0.80 CYP11B2 (0.45) CYP11B2IDO1CYP3A4TDO2
SCHEMBL27277597 0.80 CYP11B2 (0.36) CYP11B2IDO1CYP3A4TDO2
SCHEMBL9805053 0.79 CYP11B2 (0.37) CYP11B2IDO1CYP3A4TDO2
SCHEMBL9533065 0.78 IDO1 (0.35) CYP11B2IDO1CYP3A4
SCHEMBL10644234 0.77 CYP11B2 (0.45) CYP11B2IDO1CYP3A4TDO2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287512-A2 Plant growth regulators CIBA-GEIGY AG (CH) 1988-10-19 — — EP claimed
EP-0348343-A2 Synergistic agent and process for selective weed control in cereals, maize and rice CIBA-GEIGY AG (CH) 1989-12-27 — — EP disclosed