SCHEMBL10710323

SCHEMBL10710323

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GMNN O75496 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL10421627 0.85 KMT2A (0.42) EPHX1TP53SMN1; SMN2ALDH1A1NPSR1
SCHEMBL10701343 0.78 ALDH1A1 (0.42) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL10712271 0.77 ALDH1A1 (0.37) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL8895979 0.72 METAP2 (0.45) EPHX1SMN1; SMN2METAP2
SCHEMBL27811075 0.72 EPHX1 (0.42) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL7317494 0.72 TP53 (0.42) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL1986462 0.71 EPHX1 (0.40) EPHX1TP53KDM4ESMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL9744757 0.71 ALDH1A1 (0.37) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL10595888 0.71 CYP2D6 (0.41) ALDH1A1NPSR1METAP2TSHR
SCHEMBL882633 0.70 TSHR (0.40) KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281316-A2 Renin inhibitors YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-07 — — EP disclosed
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