SCHEMBL9364396

SCHEMBL9364396

CCCCCCOC(=O)C(=CC(N)=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
NAAA Q02083 6/20 0.41
EPHX2 P34913 1/20 0.38
BCHE P06276 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.36

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
SCHEMBL9364395 1.00 TSHR (0.42) TSHRNAAAEPHX2BCHEHCAR2
SCHEMBL28166491 0.84 TSHR (0.44) TSHRNAAAEPHX2HCAR2RAD52
SCHEMBL9359719 0.83 ALDH1A1 (0.43) NPSR1
SCHEMBL9359717 0.83 ALDH1A1 (0.43) NPSR1
SCHEMBL27619484 0.82 HCAR2 (0.41) TSHRNAAAEPHX2HCAR2
SCHEMBL5612679 0.82 ATM (0.46) TSHRNAAAEPHX2HCAR2NPSR1
SCHEMBL5612673 0.82 ATM (0.46) TSHRNAAAEPHX2HCAR2NPSR1
SCHEMBL10010171 0.78 TSHR (0.50) TSHRNAAAEPHX2RAD52NPSR1
SCHEMBL10011297 0.78 TSHR (0.50) TSHRNAAAEPHX2RAD52NPSR1
SCHEMBL10010175 0.78 TSHR (0.50) TSHRNAAAEPHX2RAD52NPSR1

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-0393713-B1 Process for the preparation of N-substituted maleimides TOSOH CORP (JP) 1994-06-29 EP disclosed
US-5087705-A Heating N-substituted maleamic acid monoester in presence of acid catalyst SHIN-DAIKYOWA PETROCHEMICAL CO., LTD. (JP) 1992-02-11 US disclosed
EP-0393713-A1 Process for the preparation of N-substituted maleimides Tosoh Corporation (JP) 1990-10-24 EP disclosed