SCHEMBL9014687

SCHEMBL9014687

O=C(O)CCC(NC(=O)c1ccc(N(CCCl)CCCl)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.56
CA1 P00915 3/20 0.56
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
LMNA P02545 3/20 0.52
FOLH1 Q04609 2/20 0.52
DHFR P00374 4/20 0.49
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
GMNN O75496 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
GABRA1 P14867 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL1064767 1.00 CA2 (0.56) CA2CA1CA12CA9LMNA
SCHEMBL14497757 0.87 CA2 (0.52) CA2CA1CA12CA9LMNA
SCHEMBL887827 0.87 CA2 (0.52) CA2CA1CA12CA9LMNA
SCHEMBL13338129 0.87 CA2 (0.52) CA2CA1CA12CA9LMNA
SCHEMBL8726202 0.84 CA2 (0.46) CA2CA1CA12CA9LMNA
SCHEMBL7902186 0.84 FOLH1 (0.58) LMNAFOLH1GMNNALDH1A1CYP2D6
SCHEMBL4458797 0.84 FOLH1 (0.58) LMNAFOLH1GMNNALDH1A1CYP2D6
SCHEMBL27564186 0.83 CA2 (0.75) CA2CA1CA12CA9LMNA
Hydrochloric Acid SCHEMBL7903946 0.82 FOLH1 (0.57) LMNAFOLH1GMNNALDH1A1CYP2D6
SCHEMBL7900436 0.82 KMT2A (0.69) LMNAFOLH1GMNNALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102099045-A Attenuated oncolytic paramyxoviruses encoding avian cytokines BAYER SCHERING PHARMA AG 2011-06-15 CN disclosed
CN-101875919-A Recombinant newcastle disease virus BAYER SCHERING PHARMA AG 2010-11-03 CN disclosed
CN-101056646-A Recombinant newcastle disease virus SCHERING AG (DE) 2007-10-17 CN disclosed
EP-0745673-A2 Catalytic antibody regulated prodrug therapy ZENECA LIMITED (GB) 1996-12-04 EP disclosed