SCHEMBL8919576

SCHEMBL8919576

CC(C)OC(=O)CN(C(=O)[C@@H](N)C(C(=O)O)C(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
SLC15A1 P46059 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MLYCD O95822 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA1H O95180 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8626795 0.83 TSHR (0.44) TSHRSMN1; SMN2MAPTALDH1A1GLA
SCHEMBL5812624 0.77 TSHR (0.51) TSHRSMN1; SMN2MAPTALDH1A1GLA
Hydrochloric Acid SCHEMBL5967307 0.76 MLYCD (0.47) TSHRSMN1; SMN2ALDH1A1GLASLC15A1
SCHEMBL5966898 0.74 SMN1; SMN2 (0.40) TSHRSMN1; SMN2ALDH1A1GLASLC15A1
SCHEMBL28110901 0.74 MLYCD (0.46) TSHRALDH1A1GLAMLYCD
SCHEMBL5967205 0.72 MLYCD (0.50) TSHRSMN1; SMN2ALDH1A1GLAKDM4E
Hydrochloric Acid SCHEMBL5966878 0.71 MLYCD (0.44) TSHRSMN1; SMN2ALDH1A1GLAKDM4E
Hydrochloric Acid SCHEMBL5967060 0.70 MLYCD (0.49) TSHRSMN1; SMN2ALDH1A1GLAKDM4E
SCHEMBL7443874 0.70 TSHR (0.51) TSHRSMN1; SMN2MAPTALDH1A1SLC15A1
SCHEMBL28156312 0.70 TSHR (0.50) TSHRSMN1; SMN2MAPTALDH1A1CACNA1H

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
US-5658935-A USEFUL AS INHIBITORS OF THROMBOCYTE AGGREGATION, THE METASTASIS OF CARCINOMA CELLS AND THE BINDING OF OSTEOCLASTS ON BONE SURFACES HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed