SCHEMBL7970865

SCHEMBL7970865

O=C(Oc1ccccc1)C(Br)CCCCBr

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 3/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
NSD2 O96028 1/20 0.36
PTPN1 P18031 1/20 0.35
GSK3B P49841 1/20 0.35
PTGS2 P35354 2/20 0.35
ALOX15 P16050 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7971360 0.95 ATM (0.41) ELANEATML3MBTL1TDP1ZDHHC7
SCHEMBL7062133 0.88 ATM (0.44) ELANEATML3MBTL1TDP1NSD2
SCHEMBL7773448 0.84 ZDHHC7 (0.57) TDP1ZDHHC7PRSS1PRSS2PRSS3
SCHEMBL27527798 0.84 ZDHHC7 (0.47) ATML3MBTL1TDP1ZDHHC7PRSS1
SCHEMBL8565502 0.82 ALDH1A1 (0.46) ATML3MBTL1TDP1ZDHHC7PRSS1
SCHEMBL9849997 0.81 ATM (0.46) ELANEATML3MBTL1TDP1NSD2
SCHEMBL9436169 0.81 ZDHHC2 (0.61) ZDHHC7PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7973064 0.79 TDP1 (0.49) L3MBTL1TDP1HPGDALDH1A1
SCHEMBL7973118 0.77 ESR1 (0.47) L3MBTL1TDP1HPGDHSD17B10ALDH1A1
SCHEMBL27506827 0.76 L3MBTL1 (0.50) ELANEATML3MBTL1PKMALDH1A1

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