SCHEMBL14066635

SCHEMBL14066635

CC(C)Cc1cc(-c2ccc(-c3ccc(CCC#N)cc3CC(C)C)cc2Cc2ccccc2)ccc1CCC#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
MDM2 Q00987 1/20 0.53
BCL2L1 Q07817 3/20 0.52
MCL1 Q07820 2/20 0.52
BCL2L11 O43521 1/20 0.42
BAK1 Q16611 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR1 P21453 1/20 0.35
REN P00797 1/20 0.35
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 0.32
PDE1C Q14123 2/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PLA2G10 O15496 3/20 0.31
PLA2G2A P14555 3/20 0.31
PLA2G1B P04054 1/20 0.31

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
SCHEMBL14066642 0.98 TP53 (0.53) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066639 0.94 TP53 (0.54) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066663 0.92 TP53 (0.54) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066641 0.90 TP53 (0.52) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066661 0.90 TP53 (0.52) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL4652289 0.89 TP53 (0.54) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL4652321 0.89 TP53 (0.54) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL4652316 0.88 TP53 (0.52) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL4651217 0.88 BCL2L1 (0.58) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL4651179 0.88 TP53 (0.59) TP53MDM2BCL2L1MCL1BCL2L11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408986-B1 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2008-09-24 EP disclosed