SCHEMBL28249754

SCHEMBL28249754

NNC(C(=O)O)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES1 P23141 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7416207 0.77 EPHX1 (0.52) MAPTTSHRHSD17B10POLBKMT2A
SCHEMBL5895657 0.77 KMT2A (0.59) MAPTTDP1HSD17B10L3MBTL1KMT2A
SCHEMBL1443864 0.74 LMNA (0.44) MAPTTSHRCYP3A4TDP1POLB
Benzoic Acid Hydrazide SCHEMBL1829606 0.73 CYP3A4 (0.58) MAPTCYP3A4TDP1HSD17B10POLB
Benzoic Acid Hydrazide SCHEMBL83514 0.72 CYP3A4 (0.62) MAPTCYP3A4TDP1HSD17B10POLB
SCHEMBL20078583 0.72 CYP3A4 (0.62) MAPTCYP3A4TDP1HSD17B10POLB
Benzoic Acid Hydrazide SCHEMBL4515671 0.72 CYP3A4 (0.62) MAPTCYP3A4TDP1HSD17B10POLB
Benzoic Acid Hydrazide SCHEMBL922906 0.70 CYP3A4 (0.60) MAPTCYP3A4TDP1HSD17B10POLB
Benzoic Acid Hydrazide SCHEMBL6469726 0.70 CYP3A4 (0.60) MAPTCYP3A4TDP1HSD17B10POLB
Benzoic Acid Hydrazide SCHEMBL1128823 0.70 CYP3A4 (0.60) MAPTCYP3A4TDP1HSD17B10POLB

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
CN-108755137-A Anticoagulant weaving base artificial blood vessel material of one kind and preparation method thereof 北京服装学院 2018-11-06 CN disclosed