SCHEMBL28228917

SCHEMBL28228917

c1ccc(-c2ccccc2C2CCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
BRD4 O60885 1/20 0.49
ADRA2A P08913 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
PTPN5 P54829 4/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CYP11B2 P19099 3/20 0.43
ALDH1A1 P00352 1/20 0.42
PTPN2 P17706 1/20 0.40
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL29433489 0.96 PTGS2 (0.60) PTGS2BRD4ADRA2AADRA1DADRA1A
SCHEMBL10789751 0.96 PTGS2 (0.60) PTGS2BRD4ADRA2AADRA1DADRA1A
Cyclohexane SCHEMBL9787037 0.94 PTGS2 (0.63) PTGS2BRD4ADRA2AADRA1DADRA1A
Benzene SCHEMBL27912155 0.94 PTGS2 (0.63) PTGS2BRD4ADRA2AADRA1DADRA1A
SCHEMBL28154893 0.94 PTGS2 (0.63) PTGS2BRD4ADRA2AADRA1DADRA1A
SCHEMBL30407966 0.94 PTGS2 (0.63) PTGS2BRD4ADRA2AADRA1DADRA1A
SCHEMBL60703 0.94 PTGS2 (0.63) PTGS2BRD4ADRA2AADRA1DADRA1A
Phosphine SCHEMBL27888972 0.92 PTGS2 (0.61) PTGS2BRD4ADRA2AADRA1DADRA1A
Hydrogen Sulfide SCHEMBL27800905 0.92 PTGS2 (0.61) PTGS2BRD4ADRA2AADRA1DADRA1A
Water SCHEMBL27498058 0.92 PTGS2 (0.61) PTGS2BRD4ADRA2AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116077553-B Dressing containing walnut shell extract for promoting wound healing and preparation method thereof 西安交通大学 2024-05-24 CN disclosed
CN-116077553-A Application of walnut shell extract in promoting wound healing, wound dressing based on walnut shell extract and preparation method of wound dressing 西安交通大学 2023-05-09 CN disclosed
CN-108178720-A A kind of synthetic method of 4- cyclobutyl biphenyl fluorochemical 山东盛华科技创业园有限公司 2018-06-19 CN disclosed