SCHEMBL7419674

SCHEMBL7419674

CC(C)[C@H](C[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTSK P43235 3/20 0.40
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSD P07339 1/20 0.35
CTSS P25774 1/20 0.35

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
SCHEMBL9287940 0.84 CD274 (0.47) RENCTSKALDH1A1
SCHEMBL9286028 0.82 ALDH1A1 (0.47) RENALDH1A1
SCHEMBL7412829 0.79 CYP2D6 (0.42) RENCTSKCYP2D6CTSLCTSB
SCHEMBL15497079 0.76 USP2 (0.50) L3MBTL1ALDH1A1POLBCTSLCTSB
SCHEMBL9270675 0.75 CTSL (0.40) RENCTSKCYP2D6CTSLCTSB
SCHEMBL7376568 0.75 REN (0.38) RENCTSKCYP2D6CTSLCTSB
SCHEMBL9263938 0.74 CYP2D6 (0.42) RENCTSKCYP2D6CTSLCTSB
SCHEMBL16252561 0.72 L3MBTL1 (0.58) L3MBTL1ALDH1A1POLB
SCHEMBL7345146 0.71 CYP2D6 (0.48) CTSKCYP2D6CTSLCTSBCTSS
SCHEMBL7344748 0.69 CYP2D6 (0.38) RENCTSKCYP2D6CTSLCTSB

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
WO-1992003429-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1992-03-05 WO disclosed