SCHEMBL29897693

SCHEMBL29897693

CCCCCCC(CC)COC(=O)c1cccc2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.79
PRSS2 P07478 1/20 0.79
PRSS3 P35030 1/20 0.79
ALDH1A1 P00352 5/20 0.70
CYP3A4 P08684 3/20 0.70
CA2 P00918 1/20 0.70
LMNA P02545 3/20 0.64
TSHR P16473 3/20 0.53
MAPK1 P28482 2/20 0.53
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
CDC25B P30305 1/20 0.49
CNR1 P21554 5/20 0.48
CNR2 P34972 5/20 0.48
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL6904786 0.95 ALDH1A1 (0.78) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL20100238 0.91 PRSS1 (0.64) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL14377252 0.88 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL3029945 0.88 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL203177 0.88 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL31436407 0.88 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL30532536 0.87 PRSS1 (0.97) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL30532537 0.87 PRSS1 (0.97) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL27541872 0.87 ADRB2 (0.60) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL28396810 0.87 PRSS1 (0.97) PRSS1PRSS2PRSS3ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115581636-A High sun protection value formula containing oat glucan Essenpure CBG capable of resisting photodamage and preparation method 广东馨柯生命科学有限公司 2023-01-10 CN claimed
US-12109299-B2 Plant lipid composition for promoting hair growth, method for promoting hair growth and use of said plant lipids Natura Cosméticos S.A. (BR) 2024-10-08 US disclosed
CN-115581636-B Formula containing oat glucan Essenpure CBG capable of resisting photodamage and preparation method of formula 广东馨柯生命科学有限公司 2024-03-22 CN disclosed
CN-115581636-A High sun protection value formula containing oat glucan Essenpure CBG capable of resisting photodamage and preparation method 广东馨柯生命科学有限公司 2023-01-10 CN disclosed
CN-107108503-B Light stabilizing compound, absorbing compound and use thereof 联邦科学与工业研究组织 2022-10-04 CN disclosed