SCHEMBL3979062

SCHEMBL3979062

CCCCC(C)CNc1cc(C(=O)O)c(C)cc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 8/20 0.38
PLK1 P53350 4/20 0.37
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
RARB P10826 1/20 0.33
RPS6KB1 P23443 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL3973224 0.93 CISD1 (0.36) CISD1PLK1MEN1TSHRKMT2A
SCHEMBL2428070 0.83 MEN1 (0.47) CISD1MEN1TSHRKMT2AKDM6B
SCHEMBL2426202 0.81 CISD1 (0.52) CISD1PLK1KDM6BKDM4C
SCHEMBL4258452 0.81 MEN1 (0.34) CISD1MEN1TSHRKMT2AKDM6B
SCHEMBL2431005 0.79 CISD1 (0.49) CISD1PLK1KDM6BKDM4C
SCHEMBL3975210 0.76 CASR (0.33) PLK1MEN1TSHRKMT2AKDM6B
SCHEMBL11578119 0.75 MAPT (0.38)
SCHEMBL2424142 0.75 HSP90AA1 (0.46)
SCHEMBL2426568 0.75 HSP90AA1 (0.46)
SCHEMBL2424139 0.75 HSP90AA1 (0.46)

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
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed