SCHEMBL28457281

SCHEMBL28457281

C=CCC(CCO)n1ccnc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.35
▸ CYP17A1 P05093 3/20 0.34
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ FDPS P14324 1/20 0.30

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
SCHEMBL5455751 0.86 CYP19A1 (0.40) CYP19A1CYP17A1CYP1A2CYP3A4CYP2D6
SCHEMBL2518955 0.83 CYP17A1 (0.41) CYP19A1CYP17A1
Bromide SCHEMBL28301180 0.82 CYP17A1 (0.40) CYP19A1CYP17A1
SCHEMBL17742983 0.79 CYP17A1 (0.39) CYP19A1CYP17A1
Hydrochloric Acid SCHEMBL19406020 0.79 LMNA (0.33) CYP19A1CYP17A1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL28382553 0.78 CYP17A1 (0.39) CYP19A1CYP17A1
SCHEMBL15901888 0.78 TBXAS1 (0.41) CYP19A1CYP17A1CYP3A4CYP2D6
SCHEMBL28243670 0.78 CYP17A1 (0.41) CYP19A1CYP17A1
SCHEMBL28358109 0.78 TBXAS1 (0.41) CYP19A1CYP17A1CYP3A4CYP2D6
Bromide SCHEMBL29132745 0.78 CYP17A1 (0.38) CYP19A1CYP17A1

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-111700449-A LED photo frame with aromatherapy 浙江丰源实业有限公司 2020-09-25 — — CN disclosed
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