SCHEMBL7971360

SCHEMBL7971360

O=C(Oc1ccccc1)C(Br)CCCBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 4/20 0.39
ELANE P08246 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ALOX15 P16050 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL7970865 0.95 ELANE (0.41) ATML3MBTL1TDP1ELANEPRSS1
SCHEMBL7062133 0.90 ATM (0.44) ATML3MBTL1TDP1ELANEALOX15
SCHEMBL27527798 0.85 ZDHHC7 (0.47) ATML3MBTL1TDP1PRSS1PRSS2
SCHEMBL8565502 0.83 ALDH1A1 (0.46) ATML3MBTL1TDP1PRSS1PRSS2
SCHEMBL7773448 0.83 ZDHHC7 (0.57) TDP1PRSS1PRSS2PRSS3ZDHHC7
SCHEMBL9849997 0.82 ATM (0.46) ATML3MBTL1TDP1ELANEALOX15
SCHEMBL9436169 0.79 ZDHHC2 (0.61) PRSS1PRSS2PRSS3ZDHHC7ALOX5
SCHEMBL7973322 0.79 ALDH1A1 (0.47) L3MBTL1TDP1HPGDMAPT
SCHEMBL27506827 0.78 L3MBTL1 (0.50) ATML3MBTL1ELANECYP1A2KDM4E
SCHEMBL262972 0.77 ATM (0.49) ATML3MBTL1TDP1ELANEALOX15

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