SCHEMBL28628848

SCHEMBL28628848

CCCCCCC1CC2(C)C=CC1C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 2/20 0.32
EPHX1 P07099 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL19114148 0.63 ALOX5 (0.37) ALOX5ALDH1A1EPHX1POLBL3MBTL1
SCHEMBL11662768 0.62 EPHX1 (0.52) ALOX5ALDH1A1EPHX1
SCHEMBL18685663 0.62 ALOX5 (0.65) ALOX5ALDH1A1EPHX1
SCHEMBL11186788 0.62 TSHR (0.47) ALDH1A1EPHX1
SCHEMBL11659426 0.62 EPHX1 (0.52) ALOX5ALDH1A1EPHX1
SCHEMBL18657390 0.62 ALOX5 (0.65) ALOX5ALDH1A1EPHX1
SCHEMBL726033 0.59 ALOX5 (0.61) ALOX5ALDH1A1EPHX1
SCHEMBL10486372 0.59 EPHX1 (0.48) ALOX5ALDH1A1EPHX1
SCHEMBL4004983 0.59 EPHX1 (0.48) ALOX5ALDH1A1EPHX1
SCHEMBL31453497 0.59 ALOX5 (0.61) ALOX5ALDH1A1EPHX1

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-113286830-B Polymers for special applications 马特里亚公司 2024-11-19 CN disclosed
CN-113286830-A Polymers for special applications 马特里亚公司 2021-08-20 CN disclosed