SCHEMBL8577423

SCHEMBL8577423

COC(=O)C1CCCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C1(C(N)=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
F2 P00734 2/20 0.40
F10 P00742 3/20 0.40
PLAU P00749 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
TGFBR1 P36897 4/20 0.37
USP30 Q70CQ3 1/20 0.37
SFRP1 Q8N474 2/20 0.36

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
Acetic Acid SCHEMBL8578750 0.88 F2 (0.49) F2F10PLAU
SCHEMBL8580938 0.76 ACACB (0.48) ACACBF2F10PLAUALDH1A1
SCHEMBL13538761 0.74 ACACB (0.64) ACACBF2F10ALDH1A1TGFBR1
SCHEMBL8580939 0.70 ACACB (0.43) ACACBF2F10PLAUALDH1A1
SCHEMBL10194537 0.69 SFRP1 (0.53) ACACBALDH1A1TGFBR1USP30SFRP1
SCHEMBL10194504 0.69 ACACB (0.59) ACACBF10TGFBR1
SCHEMBL10194489 0.69 ACACB (0.71) ACACBTGFBR1
SCHEMBL6340184 0.68 ACACB (0.52) ACACBF2ALDH1A1HTR1AADRA2A
SCHEMBL10194533 0.67 HTR7 (0.63) ALDH1A1HTR1AADRA2A
SCHEMBL10194548 0.66 SFRP1 (0.56) ACACBALDH1A1TGFBR1SFRP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed