SCHEMBL7369878

SCHEMBL7369878

CC[C@@H](NCCC(C)CC(=O)NCCN1CCOCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL19919908 0.83 TSHR (0.55) TSHRALDH1A1POLBBCHEACHE
SCHEMBL20903627 0.83 TSHR (0.55) TSHRALDH1A1POLBBCHEACHE
SCHEMBL1723877 0.79 TSHR (0.51) TSHRPOLBBCHEACHETDP1
SCHEMBL6709378 0.79 TSHR (0.50) TSHRPOLBBCHEACHETDP1
SCHEMBL10602511 0.77 TSHR (0.49) TSHRALDH1A1POLBBCHEACHE
SCHEMBL6960913 0.76 SMN1; SMN2 (0.64) TSHRALDH1A1POLBBCHEACHE
Hydrochloric Acid SCHEMBL7427148 0.75 SMN1; SMN2 (0.62) TSHRALDH1A1POLBBCHEACHE
SCHEMBL6712789 0.74 TDP1 (0.53) TSHRALDH1A1POLBBCHEACHE
SCHEMBL1769456 0.73 SMN1; SMN2 (0.50) TSHRPOLBTDP1HPGDGLA
SCHEMBL1769454 0.73 SMN1; SMN2 (0.50) TSHRPOLBTDP1HPGDGLA

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-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed