SCHEMBL20054084

SCHEMBL20054084

CCCCCC/N=C(\CCCCC)CCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NAAA Q02083 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 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
SCHEMBL11761404 1.00 MEN1 (0.56) MEN1KMT2ANAAAPRSS1PRSS2
SCHEMBL11766507 1.00 MEN1 (0.56) MEN1KMT2ANAAAPRSS1PRSS2
SCHEMBL11762369 0.95 MEN1 (0.50) MEN1KMT2ACES2CES1GPR84
SCHEMBL11766649 0.87 CES2 (0.42) MEN1KMT2ACES2CES1GPR84
SCHEMBL11766652 0.87 CES2 (0.42) MEN1KMT2ACES2CES1GPR84
SCHEMBL28025946 0.87 MEN1 (0.48) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL10432262 0.84 MEN1 (0.45) MEN1KMT2ANAAAPRSS1PRSS2
SCHEMBL10432477 0.83 MEN1 (0.45) MEN1KMT2ANAAAPRSS1PRSS2
SCHEMBL2153936 0.83 MEN1 (0.41) MEN1KMT2ANAAAPRSS1PRSS2
SCHEMBL8860277 0.82 MEN1 (0.44) MEN1KMT2ANAAAPRSS1PRSS2

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-2595993-B1 TRICYCLIC PROTEASOME ACTIVITY ENHANCING COMPOUNDS HARVARD COLLEGE (US) 2018-04-18 EP disclosed