SCHEMBL29023317

SCHEMBL29023317

CCCCCCC1CC2CCCC2CC1CCCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
EPHX1 P07099 3/20 0.41
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 1/20 0.39
S1PR4 O95977 3/20 0.36
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR5 Q9H228 3/20 0.36
S1PR2 O95136 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
DPP4 P27487 1/20 0.33
LSS P48449 2/20 0.32

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
SCHEMBL29385123 0.80 EPHX1 (0.48) ALOX5EPHX1CYP1A2ALDH1A1S1PR4
SCHEMBL29559353 0.80 EPHX1 (0.48) ALOX5EPHX1CYP1A2ALDH1A1S1PR4
SCHEMBL28249807 0.80 EPHX1 (0.48) ALOX5EPHX1CYP1A2ALDH1A1S1PR4
SCHEMBL28380195 0.80 EPHX1 (0.48) ALOX5EPHX1CYP1A2ALDH1A1S1PR4
SCHEMBL18685663 0.79 ALOX5 (0.65) ALOX5EPHX1CYP1A2ALDH1A1TSHR
SCHEMBL29971764 0.79 ALOX5 (0.65) ALOX5EPHX1CYP1A2ALDH1A1TSHR
Hexane SCHEMBL27727240 0.79 CYP1A2 (0.40) EPHX1CYP1A2ALDH1A1S1PR4S1PR1
SCHEMBL18657390 0.79 ALOX5 (0.65) ALOX5EPHX1CYP1A2ALDH1A1TSHR
SCHEMBL30835541 0.79 ALOX5 (0.40) ALOX5EPHX1CYP1A2ALDH1A1S1PR4
SCHEMBL8791144 0.77 EPHX1 (0.44) ALOX5EPHX1CYP1A2ALDH1A1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116268098-B A2β -casein milk and preparation method and application thereof 内蒙古蒙牛乳业(集团)股份有限公司 2024-05-17 CN disclosed
CN-116268099-B Functional milk for improving immunity and preparation method and application thereof 内蒙古蒙牛乳业(集团)股份有限公司 2024-05-10 CN disclosed
CN-116268098-A A2β -casein milk and preparation method and application thereof 内蒙古蒙牛乳业(集团)股份有限公司 2023-06-23 CN disclosed
CN-116268099-A Functional milk for improving immunity and preparation method and application thereof 内蒙古蒙牛乳业(集团)股份有限公司 2023-06-23 CN disclosed