SCHEMBL13616265

SCHEMBL13616265

CCC(C)(CC)c1ccc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.36
NR1H4 Q96RI1 3/20 0.34
KCNH2 Q12809 1/20 0.34
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
HTR1D P28221 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PPARG P37231 5/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAT2A P31153 1/20 0.31
RXRA P19793 1/20 0.31

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
SCHEMBL25877841 0.86 NR1H4 (0.42) KIF11NR1H4KCNH2HTR1DPPARG
SCHEMBL13053156 0.81 TSHR (0.48) KIF11NR1H4KCNH2PPARGALDH1A1
SCHEMBL19819738 0.81 CYP2D6 (0.36) KIF11PGRRORARORCRORB
SCHEMBL13053127 0.80 NR1H4 (0.36) KIF11NR1H4KCNH2HTR1DPPARG
SCHEMBL13129252 0.80 KDM4E (0.52) KIF11PGRESR1ESR2PPARG
SCHEMBL14138105 0.80 L3MBTL1 (0.50) KIF11NR1H4PGRRORARORC
SCHEMBL25708812 0.79 L3MBTL1 (0.50) KIF11NR1H4KCNH2PGRRORA
SCHEMBL17774060 0.78 KCNH2 (0.40) KIF11NR1H4KCNH2PGRRORA
SCHEMBL28063975 0.77 KDM4E (0.40) KIF11NR1H4PPARGALDH1A1MAT2A
SCHEMBL8739876 0.76 NOTUM (0.41) KIF11KCNH2PGRRORARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632579-B2 Light emitting element and azole compound FUJIFILM CORPORATION (JP) 2009-12-15 US disclosed