SCHEMBL8611215

SCHEMBL8611215

CC(NC(=O)OCc1ccccc1)C(=O)NC(C)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.67
ELANE P08246 1/20 0.61
ACE P12821 11/20 0.59
LMNA P02545 1/20 0.57
REN P00797 1/20 0.53
ACE2 Q9BYF1 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL8611219 1.00 PREP (0.67) PREPELANEACELMNAREN
SCHEMBL22209468 0.96 PREP (0.72) PREPELANEACELMNAACE2
SCHEMBL7334484 0.96 PREP (0.72) PREPELANEACELMNAACE2
SCHEMBL7871516 0.96 PREP (0.72) PREPELANEACELMNAACE2
SCHEMBL10657907 0.92 PREP (0.67) PREPELANEACELMNAACE2
SCHEMBL9438697 0.92 PREP (0.67) PREPELANEACELMNAACE2
SCHEMBL9438980 0.92 PREP (0.67) PREPELANEACELMNAACE2
SCHEMBL9438701 0.92 PREP (0.67) PREPELANEACELMNAACE2
SCHEMBL16000756 0.89 PREP (0.71) PREPELANEACELMNAREN
SCHEMBL8611274 0.88 ELANE (0.69) PREPELANEACERENCYP1A2

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
EP-0693080-B1 NEW GLUCOCORTICOIDS SCHERING AG (DE) 1998-04-22 EP disclosed
US-5616573-A Glucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
EP-0693080-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-24 EP disclosed
WO-1994022898-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
US-4554100-A ENZYME INHIBITORS SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1985-11-19 US disclosed