SCHEMBL6906897

SCHEMBL6906897

O=C1CC=CC2CC=CCC12

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5627732 0.73
SCHEMBL471074 0.71
SCHEMBL29526579 0.70 ALDH1A1 (0.31) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL7997189 0.68
SCHEMBL7123770 0.64 ALDH1A1 (0.37) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL1628615 0.64 ALDH1A1 (0.37) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL30130599 0.61 LMNA (0.30) LMNATSHR
SCHEMBL19385803 0.60
SCHEMBL1160235 0.60
SCHEMBL11546899 0.59 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4TSHRMAPK1

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-1482938-A1 PHARMACEUTICAL COMPOSITION OF A PDE4 OR A PDE3/4 INHIBITOR AND A HISTAMINE RECEPTOR ANTAGONIST ALTANA Pharma AG (DE) 2004-12-08 EP claimed
WO-2003074055-A1 PHARMACEUTICAL COMPOSITION OF A PDE4 OR A PDE3/4 INHIBITOR AND A HISTAMINE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-09-12 WO claimed