SCHEMBL15469855

SCHEMBL15469855

CC1(C)c2ccccc2-c2ccc(N(c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.36
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA13 Q8N1Q1 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
PDK2 Q15119 2/20 0.31
CDK8 P49336 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15469763 0.98 PGR (0.36) PGRCA12CA1CA2CA3
SCHEMBL15469837 0.98 PGR (0.38) PGRCA12CA1CA2CA3
SCHEMBL15469853 0.98 PGR (0.38) PGRCA12CA1CA2CA3
SCHEMBL15469826 0.95 PGR (0.34) PGRCA12CA1CA2CA3
SCHEMBL15469836 0.95 PGR (0.34) PGRCA12CA1CA2CA3
SCHEMBL15469962 0.94 PGR (0.34) PGR
SCHEMBL15469969 0.94 PGR (0.34) PGR
SCHEMBL15469854 0.93 PGR (0.32) PGR
SCHEMBL15469942 0.93 PGR (0.34) PGR
SCHEMBL15469852 0.92 PGR (0.33) PGRCA12CA1CA2CA3

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
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed