SCHEMBL27645765

SCHEMBL27645765

CC(C)(C)NC(=O)OCC(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.51
USP2 O75604 1/20 0.51
PLOD3 O60568 1/20 0.50
PLOD1 Q02809 1/20 0.50
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
AGTR1 P30556 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL27666764 0.82 L3MBTL1 (0.53) PLOD2ALDH1A1LMNAMEN1KMT2A
SCHEMBL19282739 0.82 NPC1 (0.51) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL6921708 0.81 LMNA (0.55) PLOD2ALDH1A1LMNAMEN1KMT2A
SCHEMBL16931655 0.79 KMT2A (0.70) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL13005928 0.77 LMNA (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL659602 0.76 ALDH1A1 (0.61) PLOD2ALDH1A1LMNAMEN1KMT2A
SCHEMBL31268672 0.76 HDAC1 (0.62) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL2732281 0.76 HDAC1 (0.62) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL14736574 0.75 CYP3A4 (0.51) PLOD2ALDH1A1LMNAMEN1KMT2A
SCHEMBL28294170 0.75 RXFP1 (0.53) ALDH1A1LMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104755484-B BACE inhibitor ELI LILLY AND CO. (US) 2016-02-17 CN disclosed
CN-104755484-A Bace inhibitors LILLY CO ELI 2015-07-01 CN disclosed
CN-101119994-A Nicotinic acetycholine receptor ligands ASTRAZENECA AB (SE) 2008-02-06 CN disclosed
CN-1918166-A Nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2007-02-21 CN disclosed