SCHEMBL9003063

SCHEMBL9003063

CC/C(N)=C(\C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TET2 Q6N021 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL2896620 1.00 ALDH1A1 (0.39) ALDH1A1TDP1ALOX15MGAMGAA
SCHEMBL8191429 1.00 ALDH1A1 (0.39) ALDH1A1TDP1ALOX15MGAMGAA
Hydrochloric Acid SCHEMBL8582666 0.98 ALDH1A1 (0.37) ALDH1A1TDP1ALOX15MGAMGAA
SCHEMBL28868916 0.84 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL3360901 0.82 CTSD (0.38) ALDH1A1ALOX15MGAMGAASI
SCHEMBL8616866 0.81 ALDH1A1 (0.35) ALDH1A1TDP1ALOX15LMNABLM
SCHEMBL9003084 0.79 ALOX15 (0.48) ALDH1A1TDP1ALOX15MGAMGAA
SCHEMBL3358255 0.79 ALOX15 (0.48) ALDH1A1TDP1ALOX15MGAMGAA
SCHEMBL24121891 0.79 ALDH1A1 (0.37) ALDH1A1ALOX15MGAMGAASI
SCHEMBL3357013 0.79 CES1 (0.40) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326389-B1 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES (JP) 1996-09-11 EP claimed
US-4935516-A Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1990-06-19 US claimed
EP-0326389-A2 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1989-08-02 EP claimed
WO-2021087087-A1 N-CYCLOHEXYL-5-(THIAZOL-5-YL)-1H-INDOLE-7-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CD38 INHIBITORS FOR INCREASING NAD+ AND FOR THE TREATMENT OF E.G. MUSCULAR DISORDERS MITOBRIDGE INC. (US) 2021-05-06 WO disclosed
EP-0326389-B1 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES (JP) 1996-09-11 EP disclosed
US-4935516-A Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1990-06-19 US disclosed
EP-0326389-A2 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1989-08-02 EP disclosed