SCHEMBL15469837

SCHEMBL15469837

CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.38
PDK2 Q15119 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CDK8 P49336 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 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
SCHEMBL15469853 1.00 PGR (0.38) PGRPDK2ALDH1A1CDK8MEN1
SCHEMBL15469763 0.98 PGR (0.36) PGRPDK2ALDH1A1CDK8CA12
SCHEMBL15469855 0.98 PGR (0.36) PGRPDK2ALDH1A1CDK8CA12
SCHEMBL15469826 0.95 PGR (0.34) PGRCA12CA1CA2CA3
SCHEMBL15469836 0.95 PGR (0.34) PGRCA12CA1CA2CA3
SCHEMBL15469962 0.94 PGR (0.34) PGR
SCHEMBL15469840 0.94 PGR (0.34) PGRCDK8
SCHEMBL15469838 0.94 PGR (0.34) PGRMAPTSMN1; SMN2
SCHEMBL15469942 0.93 PGR (0.34) PGR
SCHEMBL15469852 0.92 PGR (0.33) PGRPDK2CA12CA1CA2

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