SCHEMBL7274772

SCHEMBL7274772

CC(CCC(=O)O)C[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.44
MAPT P10636 1/20 0.41
METAP2 P50579 5/20 0.38
METAP1 P53582 3/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37

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
Acetic Acid SCHEMBL7284468 0.83 REN (0.44) RENMETAP2METAP1ALDH1A1KMT2A
Acetic Acid SCHEMBL7397604 0.81 REN (0.49) RENMETAP2METAP1
Acetic Acid SCHEMBL7274782 0.81 REN (0.49) RENMETAP2METAP1
SCHEMBL7382975 0.81 REN (0.48) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7274058 0.80 REN (0.49) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7275426 0.80 REN (0.46) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7287286 0.80 REN (0.46) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7275433 0.80 REN (0.46) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL10591623 0.80 REN (0.46) RENMAPTMETAP2METAP1
SCHEMBL7284456 0.80 REN (0.44) RENMETAP2METAP1ALDH1A1KMT2A

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
WO-1992007845-A1 DERIVATIVES OF AMINO ACIDS AS INHIBITORS OF RENIN, METHODS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-14 WO disclosed
EP-0483403-A1 Derivatives of amino acids as inhibitors of renin, methods for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-06 EP disclosed