SCHEMBL6058433

SCHEMBL6058433

C=C(C)C(=O)OCC(O)CN(C)CCO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.32
ABCB1 P08183 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
DUSP3 P51452 1/20 0.30
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Acrylic Acid SCHEMBL27474288 0.93 TSHR (0.41) TSHRKDM4EL3MBTL1THRBABCB1
SCHEMBL3972903 0.86 TSHR (0.49) TSHRKDM4ETHRBALDH1A1LMNA
SCHEMBL8763298 0.84 TSHR (0.50) TSHRKDM4ETHRBALDH1A1LMNA
SCHEMBL1254890 0.82 TSHR (0.55) TSHRKDM4ETHRBALDH1A1LMNA
Methacrylic Acid SCHEMBL27474289 0.81 TSHR (0.41) TSHRKDM4EL3MBTL1ALDH1A1ABCB1
Bromide SCHEMBL1252921 0.80 TSHR (0.53) TSHRTHRBALDH1A1LMNAABCB1
Iodide SCHEMBL1254253 0.80 TSHR (0.53) TSHRTHRBALDH1A1LMNAABCB1
Fluoride SCHEMBL1252830 0.80 TSHR (0.53) TSHRTHRBALDH1A1LMNAABCB1
SCHEMBL9498035 0.80 TSHR (0.53) TSHRKDM4ETHRBALDH1A1LMNA
Hydrochloric Acid SCHEMBL1255085 0.80 TSHR (0.53) TSHRTHRBALDH1A1LMNAABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297382-B2 Ink-jet recording material AGFA-GEVAERT (BE) 2007-11-20 US disclosed
US-7297382-B2 Ink-jet recording material AGFA-GEVAERT (BE) 2007-11-20 US disclosed
EP-1016426-B1 LEUKOCYTE-REMOVING FILTER MATERIAL ASAHI KASEI MEDICAL CO LTD (JP) 2006-05-24 EP disclosed
US-6352642-B1 Leukocyte-removing filter material ASAHI MEDICAL CO., LTD. (JP) 2002-03-05 US disclosed
CN-1268893-A Filter medium for removing leucocyte ASAHI MEDICAL CO (JP) 2000-10-04 CN disclosed
EP-1016426-A1 LEUKOCYTE-REMOVING FILTER MATERIAL ASAHI MEDICAL Co., Ltd. (JP) 2000-07-05 EP disclosed