SCHEMBL13769124

SCHEMBL13769124

Cc1cc(-c2ccc3ccc(=O)oc3c2)c(C)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.50
CYP19A1 P11511 2/20 0.49
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA1 P00915 3/20 0.44
AKR1B1 P15121 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA3 P07451 1/20 0.44
GLA P06280 3/20 0.44
MCL1 Q07820 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL13769005 0.74 ALDH1A1 (0.56) PGRCYP19A1ALDH1A1KDM4ECA12
SCHEMBL15842536 0.70 CYP19A1 (0.59) PGRCYP19A1ALDH1A1KDM4ECA12
SCHEMBL14506709 0.69 ALDH1A1 (0.62) PGRALDH1A1KDM4ECA12CA9
SCHEMBL76393 0.69 ALDH1A1 (0.74) CYP19A1ALDH1A1KDM4ECA12CA9
SCHEMBL13768986 0.69 PGR (0.68) PGRALDH1A1KDM4ECA12CA9
SCHEMBL5008339 0.69 CYP19A1 (0.51) PGRCYP19A1ALDH1A1KDM4ECA12
SCHEMBL15842362 0.68 PGR (0.77) PGRCYP19A1ALDH1A1KDM4ECA12
SCHEMBL19317202 0.68 CA12 (0.53) PGRCYP19A1ALDH1A1KDM4ECA12
SCHEMBL5008341 0.67 CYP19A1 (0.67) PGRCYP19A1ALDH1A1KDM4ECA12
SCHEMBL13382629 0.67 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709699-B1 CONJUGATED POLYMERS, REPRESENTATION THEREOF, AND USE OF THE SAME MERCK PATENT GMBH (DE) 2009-07-01 EP disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 US disclosed