SCHEMBL13402113

SCHEMBL13402113

CCCCC1CCC(C2CCC(OCCCCOc3ccc(-c4ccc(C)cc4)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.40
CYP3A4 P08684 4/20 0.40
RARB P10826 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP19A1 P11511 5/20 0.37
CYP2C9 P11712 5/20 0.37
CYP2C19 P33261 5/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
NR5A1 Q13285 1/20 0.35

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
SCHEMBL10311577 0.86 RARB (0.39) CYP2D6CYP3A4RARBCYP19A1CYP2C9
SCHEMBL13402119 0.83 KDM4E (0.38) KDM4EMEN1KMT2ADRD2DRD4
SCHEMBL13401931 0.82 NR5A1 (0.45) NR5A1
SCHEMBL9346140 0.80 CYP2D6 (0.54) CYP2D6CYP3A4RARBKDM4ECYP19A1
SCHEMBL9346152 0.80 CYP2D6 (0.54) CYP2D6CYP3A4RARBKDM4ECYP19A1
SCHEMBL10486154 0.80 CYP1A2 (0.45) CYP1A2
SCHEMBL10486152 0.80 CYP1A2 (0.45) CYP1A2
SCHEMBL10707658 0.80 CYP1A2 (0.45) CYP1A2
SCHEMBL20888411 0.80 KDM4E (0.39) CYP2D6CYP3A4RARBKDM4EMEN1
SCHEMBL10486180 0.79 CYP1A2 (0.44) CYP2D6CYP2C9CYP2C19CYP1A2MEN1

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-7705105-B2 A cyclic polymer of silsesquioxane skeleton with side chains formed byhydrosilation of an unsaturated end group containing an active polymerfunctional group; polyimidesiloxane copolymers; polyestersiloxane copolymers; high molecular weight; thin films; strength; heat resistance;waterproofing; CHISSO PETROCHEMICAL CORPORATION (JP) 2010-04-27 US disclosed
US-20070190344-A1 Verification of translation JNC CORPORATION (JP) 2007-08-16 US disclosed