SCHEMBL8109822

SCHEMBL8109822

O=C(CCF)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
CYP19A1 P11511 1/20 0.49
KMT2A Q03164 6/20 0.48
HSD17B10 Q99714 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
ELANE P08246 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 2/20 0.42
HPGD P15428 2/20 0.41
MEN1 O00255 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
SCHEMBL43742 0.87 KMT2A (0.61) PRSS1PRSS2PRSS3ALDH1A1MAPT
SCHEMBL1603335 0.85 PRSS1 (0.56) PRSS1PRSS2PRSS3ALDH1A1MAPT
SCHEMBL30593894 0.85 KMT2A (0.59) PRSS1PRSS2PRSS3ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2002135 0.83 PRSS1 (0.54) PRSS1PRSS2PRSS3ALDH1A1MAPT
SCHEMBL3441517 0.83 PRSS1 (0.50) PRSS1PRSS2PRSS3ALDH1A1MAPT
Iodide SCHEMBL10492687 0.83 PRSS1 (0.54) PRSS1PRSS2PRSS3ALDH1A1MAPT
SCHEMBL43233 0.83 PRSS1 (0.67) PRSS1PRSS2PRSS3ALDH1A1MAPT
SCHEMBL241908 0.83 CYP19A1 (0.52) PRSS1PRSS2PRSS3ALDH1A1MAPT
SCHEMBL44568 0.83 PRSS1 (0.62) PRSS1PRSS2PRSS3ALDH1A1MAPT
SCHEMBL27607807 0.82 PRSS1 (0.46) PRSS1PRSS2PRSS3ALDH1A1MAPT

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
EP-1054867-A1 ANTIVIRALS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999036406-A1 ANTIVIRALS MEDIVIR AB (SE) 1999-07-22 WO disclosed