SCHEMBL7973064

SCHEMBL7973064

O=C(OCc1ccccc1)C(Br)CCCCBr

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ALDH1A1 P00352 7/20 0.46
LMNA P02545 4/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL7973322 0.95 ALDH1A1 (0.47) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL4671424 0.89 ALDH1A1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL8314105 0.87 ALDH1A1 (0.55) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL8316651 0.87 ALDH1A1 (0.55) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL9055604 0.86 LTA4H (0.47) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL8589544 0.85 ZDHHC7 (0.55) TDP1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL7973118 0.85 ESR1 (0.47) TDP1ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL11021170 0.84 ALDH1A1 (0.46) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL10689608 0.84 ALDH1A1 (0.52) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL27342290 0.82 ALDH1A1 (0.47) TDP1KMT2AALDH1A1LMNAMAPK1

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-6172234-B1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-09 US disclosed
EP-0976729-A1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed