SCHEMBL7779646

SCHEMBL7779646

CCOC(=O)N1CCCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 6/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 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
SCHEMBL7778467 0.91 TSHR (0.47) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11190071 0.82 ALDH1A1 (0.43) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL10027108 0.80 TSHR (0.39) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11189598 0.79 ALDH1A1 (0.41) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL7778464 0.76 ALDH1A1 (0.38) ALDH1A1POLBHTTSMN1; SMN2ATM
SCHEMBL10309528 0.75 TSHR (0.38) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL9470186 0.75 CTSK (0.65) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL8612756 0.74 ALDH1A1 (0.43) ALDH1A1POLBHTTSMN1; SMN2ATM
SCHEMBL13523486 0.73 CTSK (0.59) ALDH1A1SMN1; SMN2CTSKHSD17B10MAPT
SCHEMBL2223429 0.73 TSHR (0.63) TSHRALDH1A1POLBHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693482-B1 PROCESS FOR PRODUCING HEXAHYDROPYRIDAZINE AND HEXAHYDROPYRIDAZINE-1,2-DICARBOXYLATE DERIVATIVE IHARA CHEMICAL IND CO (JP) 2001-09-12 EP disclosed
EP-0693482-A1 PROCESS FOR PRODUCING HEXAHYDROPYRIDAZINE AND HEXAHYDROPYRIDAZINE-1,2-DICARBOXYLATE DERIVATIVE IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1996-01-24 EP disclosed