SCHEMBL7976235

SCHEMBL7976235

O=C(Oc1ccccc1)C(Cl)CCCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ELANE P08246 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.35
KCNA3 P22001 1/20 0.35

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
SCHEMBL7971353 0.95 TDP1 (0.41) TDP1ATML3MBTL1ALOX15SMN1; SMN2
SCHEMBL7062943 0.90 ATM (0.44) TDP1ATML3MBTL1ALOX15ELANE
SCHEMBL8425998 0.85 TDP1 (0.44) TDP1ATML3MBTL1SMN1; SMN2ELANE
SCHEMBL12266041 0.83 METAP2 (0.49) TDP1ATML3MBTL1SMN1; SMN2PPARG
SCHEMBL10399716 0.82 ATM (0.46) TDP1ATML3MBTL1ALOX15SMN1; SMN2
SCHEMBL10877734 0.81 ZDHHC2 (0.46) TDP1PRSS1PRSS2PRSS3FAAH
SCHEMBL7969600 0.79 ALDH1A1 (0.51) TDP1L3MBTL1ELANEKMT2A
SCHEMBL28252098 0.78 ELANE (0.46) TDP1ATML3MBTL1ELANEMEN1
SCHEMBL6305898 0.78 ATM (0.52) TDP1ATML3MBTL1ALOX15ELANE
SCHEMBL11230296 0.78 GAA (0.44) TDP1L3MBTL1SMN1; SMN2MEN1KMT2A

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