SCHEMBL7099044

SCHEMBL7099044

COc1ccc2ccc(OC)c(C3CC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.54
MTNR1B P49286 11/20 0.54
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
KLK1 P06870 1/20 0.47
PRSS1 P07477 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TP53 P04637 1/20 0.44
HTR2C P28335 9/20 0.43

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
Ammonia Solution, Strong SCHEMBL27511408 0.98 MTNR1A (0.53) MTNR1AMTNR1BF2PLGPLAU
SCHEMBL7013647 0.87 MTNR1A (0.50) MTNR1AMTNR1BF2PLGPLAU
SCHEMBL7011527 0.82 MTNR1A (0.48) MTNR1AMTNR1BF2PLGPLAU
SCHEMBL7238438 0.80 MTNR1A (0.61) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL7011236 0.80 MTNR1A (0.61) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL7094962 0.79 MAPT (0.56) MTNR1AMTNR1BF2PLGPLAU
SCHEMBL7094406 0.78 MTNR1A (0.55) MTNR1AMTNR1BF2PLGPLAU
SCHEMBL27514052 0.78 MTNR1A (0.50) MTNR1AMTNR1BF2PLGPLAU
Ammonia Solution, Strong SCHEMBL27509223 0.78 MAPT (0.55) MTNR1AMTNR1BF2PLGPLAU
SCHEMBL7228935 0.75 MTNR1A (0.56) MTNR1AMTNR1BCA12CA1CA2

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-0994102-B1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-19 EP disclosed
EP-0994102-A1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-04-19 EP disclosed