SCHEMBL4693722

SCHEMBL4693722

COCOc1ccc(C=Cc2ccc(OCOC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.53
ESR1 P03372 4/20 0.52
AHR P35869 3/20 0.52
TRPA1 O75762 1/20 0.48
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL4693719 1.00 RELA (0.53) RELAESR1AHRTRPA1TUBB4A
SCHEMBL12567393 1.00 RELA (0.53) RELAESR1AHRTRPA1TUBB4A
SCHEMBL12567390 0.90 CHRNA7 (0.47) RELAESR1AHRTRPA1TUBB4A
SCHEMBL10484097 0.90 ALDH1A1 (0.61) RELAESR1AHRTRPA1TUBB4A
SCHEMBL12203894 0.90 ALDH1A1 (0.61) RELAESR1AHRTRPA1TUBB4A
SCHEMBL10484105 0.90 ALDH1A1 (0.61) RELAESR1AHRTRPA1TUBB4A
SCHEMBL3589633 0.85 NQO1 (0.50) MAPT
SCHEMBL25218117 0.85 ALDH1A1 (0.46) RELAESR1AHRTRPA1PTPN1
SCHEMBL7331317 0.84 ALDH1A1 (0.39) RELAESR1AHRTUBB4ATUBB
SCHEMBL2641825 0.84 NFE2L2 (0.51) RELAESR1AHRMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754179-B2 Light activated shape memory co-polymers CORNERSTONE RESEARCH GROUP, INC. (US) 2014-06-17 US disclosed
US-20080021166-A1 Light Activated Shape Memory Co-Polymers GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2008-01-24 US disclosed
EP-1799771-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-06-27 EP disclosed
WO-2007001407-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-01-04 WO disclosed