SCHEMBL14542192

SCHEMBL14542192

COC(=O)C(Cc1ccc(CN2[C@H](C)CCC[C@@H]2C)cc1)NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ DPP4 P27487 1/20 0.45
▸ ATM Q13315 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ ACE P12821 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TACR1 P25103 1/20 0.40

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
SCHEMBL14542190 0.89 ALDH1A1 (0.44) GAAKMT2AALDH1A1HSD17B10ACE
SCHEMBL3936988 0.88 LMNA (0.54) KMT2AALDH1A1HSD17B10ACELMNA
SCHEMBL14542443 0.77 ACE (0.48) L3MBTL1KMT2AACECACNA1B
SCHEMBL15498913 0.76 ATM (0.50) CYP2C9CYP2C19CYP3A4CYP2D6ATM
SCHEMBL2856548 0.76 NOS2 (0.58) CYP2C9CYP2C19ATML3MBTL1KMT2A
SCHEMBL29469535 0.76 NOS2 (0.58) CYP2C9CYP2C19ATML3MBTL1KMT2A
SCHEMBL2856542 0.76 NOS2 (0.58) CYP2C9CYP2C19ATML3MBTL1KMT2A
SCHEMBL13879329 0.76 DPP4 (0.40) GAADPP4KMT2AALDH1A1
SCHEMBL5151943 0.75 ACE (0.54) ATML3MBTL1KMT2AALDH1A1HSD17B10
SCHEMBL3936455 0.75 ACE (0.54) ATML3MBTL1KMT2AALDH1A1HSD17B10

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-2007038116-A1 PROCESS TO PREPARE AMINO ACID DERIVATIVES DOW GLOBAL TECHNOLOGIES INC. (US) 2007-04-05 — — WO disclosed
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