SCHEMBL6676052

SCHEMBL6676052

C=CCNNC(=O)C(=C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
TGFBR1 P36897 1/20 0.34
FAAH O00519 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL28273241 0.98 KDM4E (0.36) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL14845193 0.84 TSHR (0.41) ALDH1A1TSHRSMN1; SMN2MAPTFAAH
SCHEMBL4247978 0.79
SCHEMBL27407797 0.79
SCHEMBL30604 0.77
Ammonia Solution, Strong SCHEMBL9663785 0.76 TSHR (0.45) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL1991500 0.76 TSHR (0.38) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL10610285 0.76 TSHR (0.45) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL1326687 0.76 TSHR (0.45) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL179866 0.75

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
EP-1330502-B1 COATING COMPOSITION VALSPAR SOURCING INC (US) 2004-06-02 EP claimed
CN-117881380-A Soluble solid structure comprising a first polymeric structurant and a second polymeric structurant 宝洁公司 2024-04-12 CN disclosed
EP-2489436-B1 Microfluidic devices and methods of manufacture thereof STRATEC CONSUMABLES GmbH (AT) 2020-07-08 EP disclosed