SCHEMBL28968634

SCHEMBL28968634

[CH]=CC(C)(CCC=C(C)C)OCC

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
HIF1A Q16665 2/20 0.35
EPAS1 Q99814 2/20 0.35
GGPS1 O95749 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
SCHEMBL164899 0.81 ALOX15 (0.53) ALOX15HIF1AEPAS1GGPS1
SCHEMBL28968635 0.80 ALOX15 (0.43) ALOX15HIF1AEPAS1
SCHEMBL29051041 0.74 ALOX15 (0.60) ALOX15HIF1AEPAS1GGPS1
SCHEMBL3165667 0.73 ALOX15 (0.47) ALOX15HIF1AEPAS1
SCHEMBL9643890 0.71 ALOX15 (0.54) ALOX15HIF1AEPAS1
SCHEMBL28140875 0.70 ALOX15 (0.63) ALOX15HIF1AEPAS1
SCHEMBL28225878 0.70 ALOX15 (0.63) ALOX15HIF1AEPAS1
SCHEMBL6870661 0.68 ALOX15 (0.46) ALOX15HIF1AEPAS1
SCHEMBL15822016 0.68 ALOX15 (0.54) ALOX15GGPS1
SCHEMBL9745211 0.68 ALOX15 (0.50) ALOX15HIF1AEPAS1

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
CN-115792012-A Method for detecting fragrance components of rose dew and method for measuring fragrance component content of rose dew 兰州海关技术中心 2023-03-14 CN claimed
CN-115792012-A Method for detecting fragrance components of rose dew and method for measuring fragrance component content of rose dew 兰州海关技术中心 2023-03-14 CN disclosed