SCHEMBL7975289

SCHEMBL7975289

CCCOC(=O)/N=C(\c1cc[c]cc1)N(C(=O)OCCC)C(=O)OCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 8/20 0.36
TDP1 Q9NUW8 2/20 0.36
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 4/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
STS P08842 1/20 0.31
MAPT P10636 2/20 0.30

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
SCHEMBL7975292 1.00 LMNA (0.36) LMNAALDH1A1TDP1ESR1CHRM1
SCHEMBL7988535 0.92 ESR1 (0.38) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL7988537 0.92 ESR1 (0.38) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL7986558 0.87 CTDSP1 (0.33) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL7986561 0.87 CTDSP1 (0.33) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL7988764 0.77 PKM (0.33)
SCHEMBL7985779 0.77 PKM (0.33)
SCHEMBL7992070 0.74 ALDH1A1 (0.39) LMNAALDH1A1TDP1ESR1CHRM1
SCHEMBL7992071 0.74 ALDH1A1 (0.39) LMNAALDH1A1TDP1ESR1CHRM1
SCHEMBL7992464 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed