SCHEMBL7361688

SCHEMBL7361688

COC(=O)CCCCC(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
PLA2G2A P14555 2/20 0.50
PLA2G5 P39877 2/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
FOLH1 Q04609 8/20 0.47
MAPT P10636 1/20 0.46
MME P08473 2/20 0.46
NOD1 Q9Y239 1/20 0.45
TSHR P16473 2/20 0.44
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43

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
SCHEMBL10592046 1.00 ALDH1A1 (0.51) ALDH1A1PLA2G2APLA2G5MEN1LMNA
SCHEMBL29638170 0.90 ALDH1A1 (0.55) ALDH1A1PLA2G2APLA2G5MEN1LMNA
SCHEMBL15623775 0.90 ALDH1A1 (0.62) ALDH1A1PLA2G2APLA2G5MEN1LMNA
SCHEMBL4027352 0.88 PLA2G2A (0.61) ALDH1A1PLA2G2APLA2G5MEN1LMNA
SCHEMBL27927721 0.87 FOLH1 (0.49) KMT2AFOLH1TSHR
SCHEMBL4075415 0.85 ALDH1A1 (0.53) ALDH1A1PLA2G2APLA2G5MEN1LMNA
SCHEMBL4075414 0.85 ALDH1A1 (0.53) ALDH1A1PLA2G2APLA2G5MEN1LMNA
SCHEMBL15680095 0.85 FOLH1 (0.60) ALDH1A1PLA2G2APLA2G5MEN1LMNA
SCHEMBL9664224 0.83 PLA2G2A (0.69) ALDH1A1PLA2G2APLA2G5MEN1LMNA
SCHEMBL7333737 0.83 PLA2G2A (0.69) ALDH1A1PLA2G2APLA2G5MEN1LMNA

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
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed