SCHEMBL8427346

SCHEMBL8427346

NCCCC[C@](N)(C(N)=O)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.39
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
LTA4H P09960 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
Hydrochloric Acid SCHEMBL27618465 0.99 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL8429528 0.96 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL31300266 0.92 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL1167642 0.90 SMN1; SMN2 (0.46) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL1167641 0.90 SMN1; SMN2 (0.46) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL10855143 0.86 SMN1; SMN2 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL27484782 0.86 SMN1; SMN2 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL10855149 0.86 SMN1; SMN2 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL13518879 0.85 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL4951632 0.82 L3MBTL1 (0.41) ALDH1A1L3MBTL1KMT2ALMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994317-A DRUG DELIVERY; INSERTION MATERIAL INTO CELL VICAL INCORPORATED (US) 1999-11-30 US disclosed
EP-0003833-B2 ANTIGEN DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1990-12-19 EP disclosed
US-4574058-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1986-03-04 US disclosed
US-4446128-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1984-05-01 US disclosed
US-4397844-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1983-08-09 US disclosed
EP-0003833-B1 ANTIGEN DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1983-07-20 EP disclosed
EP-0003833-A2 Antigen derivatives, process for their preparation, pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-09-05 EP disclosed