SCHEMBL6160177

SCHEMBL6160177

Cn1c(C2CCCCC2)nc(CCC23CC4CC(CC(C4)C2)C3)c1C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 7/20 0.38
FKBP1A P62942 2/20 0.37
ADORA3 P0DMS8 4/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6160554 0.86 FKBP1A (0.39) KMT2AALDH1A1EPHX2FKBP1AADORA3
SCHEMBL6159879 0.80 ALDH1A1 (0.40) KMT2AALDH1A1EPHX2
SCHEMBL6330492 0.76 GPR119 (0.36) KMT2AALDH1A1EPHX2FKBP1AADORA3
SCHEMBL6159433 0.75 CCKBR (0.47) EPHX2ADORA3
SCHEMBL6159409 0.71 CCKBR (0.46) EPHX2ADORA3
SCHEMBL6158527 0.71 PPARG (0.39) KMT2ACYP3A4
SCHEMBL6159791 0.70 EPHX2 (0.34) KMT2AALDH1A1EPHX2
SCHEMBL6161308 0.69 EPHX2 (0.39) KMT2AALDH1A1EPHX2FKBP1A
SCHEMBL6159631 0.68 CCKBR (0.53) KMT2ATSHR
SCHEMBL6339911 0.68 CCKBR (0.44) KMT2AALDH1A1EPHX2FKBP1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed