SCHEMBL1132075

SCHEMBL1132075

O=C(O)c1cc(C2CCCCC2)n(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.60
MCL1 Q07820 5/20 0.55
BCL2 P10415 3/20 0.55
P4HTM Q9NXG6 1/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CRACR2A Q9BSW2 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
DHODH Q02127 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
RAB9A P51151 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
RPA1 P27694 1/20 0.42
FAAH O00519 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL1131475 0.88 FAAH (0.52) MDM2MCL1BCL2KMT2AFAAH
SCHEMBL1131836 0.87 MDM2 (0.46) MDM2MCL1BCL2KDM4EKMT2A
SCHEMBL1131660 0.86 MDM2 (0.45) MDM2MCL1BCL2KDM4EKMT2A
SCHEMBL1132048 0.86 MDM2 (0.45) MDM2MCL1BCL2KDM4EKMT2A
SCHEMBL1131017 0.84 MDM2 (0.43) MDM2MCL1BCL2KDM4EKMT2A
SCHEMBL1131668 0.84 KDM4E (0.44) MDM2MCL1BCL2KDM4EKMT2A
SCHEMBL1131667 0.84 KDM4E (0.44) MDM2MCL1BCL2KDM4EKMT2A
SCHEMBL1132456 0.84 FFAR1 (0.48) MDM2MCL1BCL2KDM4EKMT2A
SCHEMBL1131756 0.82 KDM4E (0.43) MDM2MCL1BCL2KDM4EKMT2A
SCHEMBL1132002 0.82 KDM4E (0.43) MDM2MCL1BCL2KDM4EKMT2A

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-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP claimed