SCHEMBL15929665

SCHEMBL15929665

COc1ccc(/C=C/C=C/C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TRPA1 O75762 1/20 0.52
RELA Q04206 1/20 0.52
CYP1A2 P05177 4/20 0.50
CYP1A1 P04798 4/20 0.50
CYP1B1 Q16678 4/20 0.50
ESR1 P03372 2/20 0.50
NFE2L2 Q16236 2/20 0.50
PTGS2 P35354 2/20 0.50
AHR P35869 2/20 0.50
ABL1 P00519 1/20 0.50
TTR P02766 1/20 0.50
ABCB1 P08183 1/20 0.50
ALOX5 P09917 1/20 0.50
BCR P11274 1/20 0.50

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
SCHEMBL678598 0.86 KDM4E (0.59) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL12028758 0.86 KDM4E (0.59) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL2449268 0.85 KDM4E (0.70) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL2449266 0.85 KDM4E (0.70) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL2830674 0.83 KDM4E (0.67) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL10572851 0.82 KDM4E (0.59) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL10572842 0.82 KDM4E (0.59) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL15929662 0.79 RELA (0.57) CYP3A4RELACYP1A2CYP1A1CYP1B1
SCHEMBL9282701 0.78 KDM4E (0.55) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL19523638 0.78 KDM4E (0.50) KDM4ECYP3A4LMNATP53TSHR

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-9035287-B2 Polymeric materials for use in metal-oxide-semiconductor field-effect transistors POLYERA CORPORATION (US) 2015-05-19 US disclosed
US-20140217395-A1 Polymeric Materials for Use in Metal-Oxide-Semiconductor Field-Effect Transistors POLYERA CORPORATION (US) 2014-08-07 US disclosed