SCHEMBL14460232

SCHEMBL14460232

Cc1cc(-c2ccccc2OCC(C)(C)COc2ccccc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2O)c(O)c(-c2c3c(cc4c2CCCC4)CCCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXRA P19793 3/20 0.32
BRD4 O60885 3/20 0.31
SSTR4 P31391 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
RXRB P28702 2/20 0.31
AGTR2 P50052 1/20 0.31
MCL1 Q07820 1/20 0.31
NLRP3 Q96P20 1/20 0.31
RXRG P48443 1/20 0.30

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
SCHEMBL14460615 0.89 MEN1 (0.45) MEN1KMT2ARXRABRD4TSHR
SCHEMBL13045159 0.87 MEN1 (0.44) MEN1KMT2ARXRABRD4TSHR
SCHEMBL14460614 0.87 KMT2A (0.44) MEN1KMT2ARXRABRD4TSHR
SCHEMBL14460268 0.86 MEN1 (0.39) MEN1KMT2ARXRATSHRMCL1
SCHEMBL14460356 0.85 MEN1 (0.42) MEN1KMT2ARXRATSHRMAPK1
SCHEMBL14460497 0.85 MEN1 (0.42) MEN1KMT2ARXRATSHRMAPK1
SCHEMBL14460245 0.84 KMT2A (0.41) MEN1KMT2ARXRABRD4TSHR
SCHEMBL14460821 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL14460490 0.83 MEN1 (0.47) MEN1KMT2ARXRABRD4TSHR
SCHEMBL17677480 0.83 MEN1 (0.30) MEN1KMT2A

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-1751169-B1 BRIDGED BI-AROMATIC CATALYSTS, COMPLEXES, AND METHOD OF USING THE SAME SYMYX SOLUTIONS INC (US) 2016-04-13 EP disclosed
US-7241714-B2 Bridged bi-aromatic catalysts, complexes, and methods of using the same SYMYX TECHNOLOGIES, INC. (US) 2007-07-10 US disclosed
US-7241714-B2 Bridged bi-aromatic catalysts, complexes, and methods of using the same SYMYX TECHNOLOGIES, INC. (US) 2007-07-10 US disclosed