SCHEMBL16401375

SCHEMBL16401375

CC1(C)OCC(C)(CCO)N(Cc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.43
CTSG P08311 1/20 0.43
PRTN3 P24158 1/20 0.43
AMPD2 Q01433 4/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL16399740 0.90 ELANE (0.44) ELANECTSGPRTN3AMPD2ALDH1A1
SCHEMBL16401374 0.77 ELANE (0.43) ELANECTSGPRTN3AMPD2ALDH1A1
SCHEMBL16399447 0.77 AMPD2 (0.44) ELANECTSGPRTN3AMPD2ALDH1A1
SCHEMBL17685971 0.77 ELANE (0.38) ELANECTSGPRTN3AMPD2ALDH1A1
SCHEMBL16400524 0.77 ELANE (0.44) ELANECTSGPRTN3AMPD2ALDH1A1
SCHEMBL16400528 0.72 MEN1 (0.38) ELANECTSGPRTN3AMPD2ALDH1A1
SCHEMBL16401189 0.69 KMT2A (0.46) ELANECTSGPRTN3GAAL3MBTL1
SCHEMBL2074739 0.69 ALDH1A1 (0.42) ELANECTSGPRTN3AMPD2ALDH1A1
SCHEMBL16400061 0.68 ELANE (0.42) ELANECTSGPRTN3ALDH1A1GAA
SCHEMBL18569737 0.68 BRD4 (0.41) ELANECTSGPRTN3ALDH1A1GAA

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
EP-3004086-A1 SUBSTITUTED BENZOXAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-04-13 EP disclosed
WO-2014195230-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 WO disclosed