SCHEMBL3718508

SCHEMBL3718508

O=[C]/C=C/c1ccc(B(O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
TTR P02766 2/20 0.50
P4HB P07237 1/20 0.47
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
TRPV1 Q8NER1 1/20 0.41
ENPP2 Q13822 4/20 0.41

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
SCHEMBL3718511 1.00 KDM4E (0.54) KDM4ETTRP4HBTUBB4ATUBB
SCHEMBL2400920 0.79 TTR (0.71) KDM4ETTRP4HBTUBB4ATUBB
SCHEMBL2400914 0.79 TTR (0.71) KDM4ETTRP4HBTUBB4ATUBB
SCHEMBL788775 0.79 ENPP2 (0.62) KDM4ETTRP4HBTUBB4ATUBB
SCHEMBL788776 0.79 ENPP2 (0.62) KDM4ETTRP4HBTUBB4ATUBB
SCHEMBL196959 0.76 APP (0.52) KDM4ETTRCA2CA1
SCHEMBL2821449 0.76 APP (0.52) KDM4ETTRCA2CA1
SCHEMBL76731 0.76 APP (0.52) KDM4ETTRCA2CA1
SCHEMBL14756835 0.73 P4HB (0.59) KDM4ETTRP4HBTUBB4ATUBB
SCHEMBL3715295 0.73 CYP2A6 (0.44) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 US disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 US disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 US disclosed