SCHEMBL2705709

SCHEMBL2705709

N#CCC(=O)C1CCC(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38

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
SCHEMBL752095 0.91
SCHEMBL5466115 0.89
SCHEMBL239077 0.82
SCHEMBL573499 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL25278102 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTMCL1
SCHEMBL1543551 0.81 MCL1 (0.39) ALDH1A1KMT2AMEN1MAPTMCL1
SCHEMBL25278103 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTMCL1
SCHEMBL20852085 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL4842055 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL26722615 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTTSHR

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-2012027240-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed