SCHEMBL9684499

SCHEMBL9684499

N#C/C(=C/c1ccc2c(c1)CCO2)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.54
HSD11B1 P28845 1/20 0.52
HPGD P15428 5/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CISD1 Q9NZ45 1/20 0.50
HTT P42858 1/20 0.50
SLC16A3 O15427 1/20 0.50
CYP3A4 P08684 1/20 0.50
SLC16A1 P53985 1/20 0.50
GPR35 Q9HC97 1/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK2 Q92630 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL9684501 1.00 EGFR (0.54) EGFRHSD11B1HPGDKDM4EALDH1A1
SCHEMBL5040966 0.79 CRHBP (0.67) EGFRHPGDKDM4EALDH1A1CISD1
SCHEMBL5040968 0.79 CRHBP (0.67) EGFRHPGDKDM4EALDH1A1CISD1
SCHEMBL2871514 0.78 DYRK1A (0.47) HSD11B1HPGDALDH1A1POLBDYRK1A
SCHEMBL338477 0.78 DYRK1A (0.47) HSD11B1HPGDALDH1A1POLBDYRK1A
SCHEMBL4600830 0.74 EGFR (0.85) EGFRHPGDKDM4EALDH1A1CISD1
SCHEMBL4600832 0.74 EGFR (0.85) EGFRHPGDKDM4EALDH1A1CISD1
SCHEMBL10413058 0.74 EGFR (0.85) EGFRHPGDKDM4EALDH1A1CISD1
SCHEMBL7678076 0.73 DYRK1A (0.53) HSD11B1DYRK1ADYRK2DYRK1B
SCHEMBL6046308 0.73 EGFR (0.54) EGFRHPGDKDM4EALDH1A1CISD1

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
US-5134147-A Antipsychotic agents ADIR ET COMPAGNIE (FR) 1992-07-28 US disclosed
US-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed