SCHEMBL9324758

SCHEMBL9324758

COC(=O)C1CCN(CCCNC(CCC(C)C)CCC(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ BCHE P06276 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL9322401 0.94 GAA (0.40) LTA4HHSD17B10GAASMN1; SMN2TP53
SCHEMBL9322225 0.89 THRA (0.40) HSD17B10GAABCHESMN1; SMN2TP53
SCHEMBL9322356 0.86 BCHE (0.47) LTA4HHSD17B10BCHESMN1; SMN2TP53
SCHEMBL9321412 0.82 SMN1; SMN2 (0.48) HSD17B10BCHESMN1; SMN2TP53ALDH1A1
SCHEMBL9323677 0.80 SMN1; SMN2 (0.39) HSD17B10SMN1; SMN2TP53USP2TSHR
SCHEMBL9322261 0.79 HRH3 (0.36) SMN1; SMN2TP53
SCHEMBL9323550 0.77 TP53 (0.39) SMN1; SMN2TP53USP2
SCHEMBL8518749 0.77 BCHE (0.50) LTA4HGAABCHESMN1; SMN2TP53
SCHEMBL9917385 0.76 LTA4H (0.47) LTA4HSMN1; SMN2TP53CYP3A4BRD4
SCHEMBL28953619 0.76 LTA4H (0.48) LTA4HGAABCHESMN1; SMN2TP53

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
US-5310902-A Glutamate blockers NIPPON CHEMIPHAR CO., LTD. (JP) 1994-05-10 — — US disclosed
US-5070196-A GLUTAMATE BLOCKERS NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-03 — — US disclosed
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