SCHEMBL6555789

SCHEMBL6555789

CCC(=O)Oc1c(OCCn2c(C)nc3ccccc3c2=O)cccc1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4EBP1 Q13541 2/20 0.50
TSHR P16473 1/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 4/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 5/20 0.45
GFER P55789 1/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6555761 0.92 EIF4EBP1 (0.52) EIF4EBP1TSHRALDH1A1HPGDMAPK1
SCHEMBL6557890 0.90 ALDH1A1 (0.44) EIF4EBP1ALDH1A1HPGDMAPK1KDM4E
SCHEMBL6555851 0.81 MAPT (0.47) EIF4EBP1ALDH1A1HPGDMAPK1KDM4E
SCHEMBL6557322 0.81 KDM4E (0.52) TSHRALDH1A1KDM4EKMT2AMAPT
SCHEMBL7013161 0.81 EIF4EBP1 (0.48) EIF4EBP1TSHRALDH1A1HPGDMAPK1
SCHEMBL6858495 0.77 EIF4EBP1 (0.49) EIF4EBP1TSHRALDH1A1HPGDMAPK1
SCHEMBL6555774 0.74 RAB9A (0.61) EIF4EBP1ALDH1A1HPGDMAPK1LMNA
SCHEMBL6858494 0.73 EIF4EBP1 (0.49) EIF4EBP1TSHRALDH1A1HPGDMAPK1
SCHEMBL6557964 0.73 ACKR3 (0.52) TSHRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL15547765 0.72 ELANE (0.46) TSHRALDH1A1KDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073643-B1 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-12-29 EP disclosed
EP-1073643-A2 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-02-07 EP disclosed
WO-1999008501-A2 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-02-25 WO disclosed