SCHEMBL9458233

SCHEMBL9458233

CC(C)c1cc(C(CC(=O)Oc2ccc(C(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(O)c2)C(C)(C)C)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
VCAM1 P19320 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
PDE4A P27815 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33
HTT P42858 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE4D Q08499 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL9458194 0.91 NR1H4 (0.40) ELANEVCAM1NR1H4HPGDALDH1A1
SCHEMBL9457950 0.82 HPGD (0.47) ELANENR1H4HPGDALDH1A1LMNA
SCHEMBL9458229 0.81 GAA (0.37) NR1H4HPGDALDH1A1LMNACYP1A2
SCHEMBL9458223 0.77 BCL2 (0.37) ELANENR1H4HPGDALDH1A1LMNA
SCHEMBL8744589 0.76 GAA (0.39) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL9458187 0.73 HPGD (0.41) ELANENR1H4HPGDALDH1A1LMNA
SCHEMBL8744662 0.73 GAA (0.45) VCAM1HPGDALDH1A1LMNACYP1A2
SCHEMBL8744623 0.73 NR1H4 (0.51) ELANENR1H4HPGDALDH1A1LMNA
SCHEMBL9458191 0.71 ATM (0.43) NR1H4HPGDALDH1A1LMNACYP1A2
SCHEMBL9457384 0.71 ALOX5 (0.41) ELANENR1H4HPGDALDH1A1LMNA

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
US-5274170-A Substituted benzophenone stabilizers CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed
US-5145766-A Benzoyl esters or sulfonates CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed