SCHEMBL7180842

SCHEMBL7180842

COc1ccc(CCCCCCCCCCC(C)O)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.60
ATM Q13315 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 1/20 0.50
TUBB1 Q9H4B7 1/20 0.50
HTR1A P08908 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL10776243 0.87 STAT3 (0.55) STAT3ATMKDM4ETUBB4ATUBB
SCHEMBL15236787 0.87 STAT3 (0.73) STAT3ATMKDM4EPOLBCYP19A1
SCHEMBL31556187 0.85 ATM (0.68) STAT3ATMKDM4ETUBB4ATUBB
SCHEMBL31556190 0.85 ATM (0.68) STAT3ATMKDM4ETUBB4ATUBB
SCHEMBL23913120 0.85 ATM (0.68) STAT3ATMKDM4ETUBB4ATUBB
SCHEMBL10773782 0.83 STAT3 (0.51) STAT3ATMKDM4ETUBB4ATUBB
SCHEMBL10343404 0.83 ATM (0.70) STAT3ATMKDM4ETUBB4ATUBB
SCHEMBL30869991 0.83 ATM (0.70) STAT3ATMKDM4ETUBB4ATUBB
SCHEMBL10774028 0.81 STAT3 (0.53) STAT3ATMKDM4ETUBB4ATUBB
SCHEMBL10776111 0.81 STAT3 (0.53) STAT3ATMKDM4ETUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056700-A4 MEDICINAL USES OF PHENYLALKANOLS AND DERIVATES UNIV SYDNEY (AU) 2003-07-09 EP disclosed
EP-1056700-A1 MEDICINAL USES OF PHENYLALKANOLS AND DERIVATES THE UNIVERSITY OF SYDNEY (AU) 2000-12-06 EP disclosed
WO-1999020589-A1 MEDICINAL USES OF PHENYLALKANOLS AND DERIVATIVES THE UNIVERSITY OF SYDNEY (AU) 1999-04-29 WO disclosed