SCHEMBL29225652

SCHEMBL29225652

CC(C)c1ccc(C(C)C)cc1.c1ccc2c(c1)OCCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.64
ICAM1 P05362 1/20 0.64
ITGAL P20701 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 2/20 0.56
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
HTT P42858 1/20 0.56
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
GAA P10253 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
KDM1A O60341 3/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL20091607 0.88 PTGS1 (0.57) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL71414 0.80 PTGS1 (0.62) LMNAHTTPTGS1PTGS2TRPV1
SCHEMBL29997436 0.80 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11399163 0.80 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL8518 0.80 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL27796077 0.80 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11519392 0.80 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11406989 0.80 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL6791411 0.80 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Methylamine SCHEMBL3886898 0.78 ITGB2 (0.82) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112640147-B Electroluminescent device 默克专利股份公司 2024-04-26 CN disclosed