Enbucrilate

Enbucrilate

SCHEMBL7079940

C=C(C#N)C(=O)OCCCC.OCCO

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 1/20 0.36
ACHE P22303 7/20 0.36
TP53 P04637 1/20 0.36
NAAA Q02083 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
Enbucrilate SCHEMBL24796 0.95 TSHR (0.66) TSHRALDH1A1HPGDATMHCAR2
Ethylene Glycol SCHEMBL27549097 0.93 TSHR (0.57) TSHRALDH1A1HCAR2ACHENAAA
Ocrylate SCHEMBL19579379 0.90 TSHR (0.61) TSHRALDH1A1HPGDATMHCAR2
Enbucrilate SCHEMBL29026258 0.90 TSHR (0.61) TSHRALDH1A1HPGDATMHCAR2
Enbucrilate SCHEMBL6465405 0.90 TSHR (0.61) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL618797 0.89 TSHR (0.63) TSHRALDH1A1HPGDATMHCAR2
Enbucrilate SCHEMBL11173752 0.89 TSHR (0.56) TSHRALDH1A1HPGDATMACHE
SCHEMBL4888255 0.88 TSHR (0.58) TSHRALDH1A1HPGDATMHCAR2
Ocrylate SCHEMBL28836327 0.88 TSHR (0.59) TSHRALDH1A1HCAR2ACHENAAA
Enbucrilate SCHEMBL20395020 0.88 TSHR (0.58) TSHRALDH1A1HPGDATMHCAR2

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-20030031499-A1 Quenched foam applicators for polymerizable adhesives, and methods of making and using the same CLOSURE MEDICAL CORPORATION (US) 2003-02-13 US disclosed