SCHEMBL19005960

SCHEMBL19005960

CCCOc1cc2c(cc1CCCc1ccc(OC)c(NC(=O)[C@@H](N)CC)c1)OCCS2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PTAFR P25105 1/20 0.32
LMNA P02545 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL18987377 0.93 REN (0.36) RENMTNR1AMTNR1BPDE4APDE4B
SCHEMBL19005961 0.93 REN (0.36) RENMTNR1AMTNR1BPDE4APDE4B
SCHEMBL19006005 0.84 HTR1A (0.34) RENMTNR1AMTNR1BPDE4APDE4B
SCHEMBL19005991 0.82 MTNR1A (0.34) RENMTNR1AMTNR1BPDE4APDE4B
SCHEMBL19005979 0.81 HTT (0.36) MTNR1AMTNR1BKMT2AKDM4ESMN1; SMN2
SCHEMBL18987199 0.79 TSHR (0.35) RENPDE4APDE4BPDE4CPDE4D
SCHEMBL18987392 0.78 LARS1 (0.35) RENMTNR1AMTNR1BPDE4APDE4B
SCHEMBL19005964 0.78 MAPT (0.38) KMT2ASMN1; SMN2LMNA
SCHEMBL19005959 0.74 KMT2A (0.39) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL19005968 0.72 GAA (0.37) MTNR1AMTNR1BKMT2AKDM4ESMN1; SMN2

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
WO-2017103637-A1 DIPHENYLPROPANE COMPOUNDS AND THEIR CYTOTOXIC ACTIVITY BLIRT S.A. (PL) 2017-06-22 WO disclosed