SCHEMBL28118801

SCHEMBL28118801

C=C(Cl)OC(=O)c1ccc(C(=O)OC(=C)Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL15417867 0.89 LMNA (0.54) TDP1LMNAF2SMN1; SMN2TSHR
SCHEMBL28146836 0.86 CA1 (0.60) CA1CA2LMNANPC1RAB9A
SCHEMBL28005028 0.83 ALDH1A1 (0.59) CA1CA2TDP1LMNATSHR
SCHEMBL6656414 0.79 CA1 (0.41) CA1CA2CA12CA7CA9
SCHEMBL28964798 0.77 LMNA (0.44) CA1CA2CA12CA7CA9
SCHEMBL5450979 0.75 TDP1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL247590 0.72 CES2 (0.59) CA1CA2LMNANPC1RAB9A
SCHEMBL28775846 0.72 CES2 (0.59) CA1CA2LMNANPC1RAB9A
SCHEMBL8923096 0.72 ALDH1A1 (0.49) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL28478234 0.71 ELANE (0.46) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349589-A PVC COMPOSITION AS WELL AS ELECTRIC WIRE AND CABLE USING THE SAME 日立金属株式会社 2017-01-25 CN disclosed
CN-106349590-A Vinyl chloride resin composition as well as electric wire and cable using same 日立金属株式会社 2017-01-25 CN disclosed
CN-106349588-A PVC COMPOSITION AS WELL AS ELECTRIC WIRE AND CABLE USING THE SAME 日立金属株式会社 2017-01-25 CN disclosed