SCHEMBL5280138

SCHEMBL5280138

[CH2]CCNCC(O)COC(=O)C(=C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ADRB2 P07550 3/20 0.34
ADRB1 P08588 3/20 0.34
ADRB3 P13945 3/20 0.34
ABCB1 P08183 1/20 0.33

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
SCHEMBL9706996 0.87 TSHR (0.49) TSHRALDH1A1THRBKDM4EADRB2
SCHEMBL16407297 0.87 TSHR (0.49) TSHRTHRBKDM4EADRB2ADRB1
SCHEMBL16573834 0.86 TSHR (0.47) TSHRALDH1A1THRBKDM4EADRB2
SCHEMBL19523487 0.84 TSHR (0.46) TSHRALDH1A1THRBKDM4EADRB2
SCHEMBL13311776 0.84 TSHR (0.46) TSHRALDH1A1THRBKDM4EADRB2
SCHEMBL8423288 0.84 TSHR (0.46) TSHRTHRBKDM4E
SCHEMBL9685168 0.84 THRB (0.40) TSHRALDH1A1THRB
SCHEMBL12621226 0.83 KDM4E (0.53) TSHRALDH1A1THRBKDM4EADRB2
SCHEMBL22016787 0.83 TSHR (0.45) TSHRALDH1A1THRBKDM4EADRB2
SCHEMBL14932557 0.83 TSHR (0.45) TSHRALDH1A1THRBADRB2ADRB1

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
EP-2764065-B1 SACRIFICIAL ADHESIVE COATINGS ROCHAL IND LLC (US) 2017-03-22 EP claimed
CN-102713744-B Silicon-containing liquid crystal aligning agent, liquid crystal orientation film and liquid crystal display cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-02 CN disclosed
CN-102713744-A Silicon-containing liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element NISSAN CHEMICAL IND LTD 2012-10-03 CN disclosed
EP-1433814-B1 CURABLE COMPOSITION, CURED ARTICLE OBTAINED THEREFROM, AND PHOTOCHROMIC OPTICAL MATERIAL AND PROCESS FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2007-12-19 EP disclosed