SCHEMBL8528965

SCHEMBL8528965

CCOC(=O)C1CC=CC(CN2C(=O)c3ccccc3C2=O)C1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 3/20 0.35
HTT P42858 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
SCHEMBL8089749 0.89 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL8089745 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL8201326 0.76 L3MBTL1 (0.39) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL3777633 0.73 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL3785359 0.73 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL30311991 0.73 MAPT (0.48) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL15265352 0.71 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL19511038 0.70 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL3779237 0.69 ALDH1A1 (0.42) ALDH1A1KMT2ATSHRCYP1A2CYP2C19
SCHEMBL1195410 0.69 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRHTT

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
US-5739339-A BACTERICIDES, ANTIPROTOZOA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5679675-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
US-5508278-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed