SCHEMBL5736019

SCHEMBL5736019

CN1CCN(c2c(F)cc3c(=O)c(OC(=O)O)c[nH]c3c2C2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 6/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 3/20 0.40
ALB P02768 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ADRA2B P18089 1/20 0.39
MAPK1 P28482 1/20 0.39
TUBB4A P04350 1/20 0.39
POLB P06746 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 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
SCHEMBL5507782 0.90 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL5735129 0.89 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL8898775 0.87 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL6676409 0.79 CSNK2A2 (0.33) ALDH1A1LMNA
SCHEMBL3239412 0.76 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9626409 0.75 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL8558746 0.74 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL8559738 0.74 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10ADRA2B
Hydrochloric Acid SCHEMBL7253434 0.74 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10TUBB4A
SCHEMBL9377024 0.74 LMNA (0.38) KDM4EALDH1A1HPGDHSD17B10ALB

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-1682144-A1 PHARMACEUTICAL FORMULATIONS CONTAINING FLAVOURING SUBSTANCES WITH IMPROVED PHARMACEUTICAL PROPERTIES Bayer HealthCare AG (DE) 2006-07-26 EP disclosed
WO-2005044271-A1 PHARMACEUTICAL FORMULATIONS CONTAINING FLAVOURING SUBSTANCES WITH IMPROVED PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-05-19 WO disclosed
EP-0238814-A2 Antibacterial medicaments for fish BAYER AG (DE) 1987-09-30 EP disclosed