SCHEMBL14066645

SCHEMBL14066645

CC(C)Cc1cc(CCC(=O)O)ccc1-c1ccc(-c2ccc(CCC(=O)O)c(Cc3ccccc3)c2)c(Cc2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.75
MDM2 Q00987 1/20 0.75
BCL2L1 Q07817 3/20 0.74
MCL1 Q07820 2/20 0.74
BCL2L11 O43521 1/20 0.55
BAK1 Q16611 1/20 0.55
PLA2G10 O15496 2/20 0.46
PLA2G2A P14555 2/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
S1PR1 P21453 1/20 0.44
FFAR1 O14842 6/20 0.44
PTGER4 P35408 4/20 0.43
PTGER3 P43115 4/20 0.43
PTGER1 P34995 3/20 0.43
PTGER2 P43116 3/20 0.43
FFAR4 Q5NUL3 4/20 0.43
PLA2G4A P47712 1/20 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
SCHEMBL14347954 0.96 TP53 (0.70) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066700 0.88 TP53 (0.60) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL4651590 0.86 TP53 (1.00) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL4651385 0.86 BCL2L1 (0.98) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL12665331 0.83 TP53 (0.56) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL4652556 0.83 BCL2L1 (0.79) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066642 0.80 TP53 (0.53) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14347691 0.80 BCL2L1 (0.71) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066663 0.79 TP53 (0.54) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066635 0.78 TP53 (0.53) 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