SCHEMBL8355563

SCHEMBL8355563

CC(C)(C)OC(=O)N1CC[C](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
NR1H2 P55055 2/20 0.49
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
NAMPT P43490 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
POLB P06746 1/20 0.39
KDM1A O60341 1/20 0.39
STS P08842 2/20 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
SCHEMBL3184176 0.81 ESR2 (0.47) ESR2NR1H2MEN1KMT2AMAPK1
SCHEMBL27621228 0.81 ESR2 (0.46) ESR2NR1H2MEN1KMT2APTPN2
SCHEMBL27621240 0.81 MEN1 (0.46) ESR2NR1H2MEN1KMT2AMAPK1
SCHEMBL3194232 0.80 SLC6A3 (0.57) ESR2NR1H2SLC6A3
SCHEMBL3986657 0.80 ESR2 (0.45) ESR2NR1H2MEN1KMT2AMAPK1
SCHEMBL3195957 0.80 NAMPT (0.56) ESR2MEN1KMT2ANAMPT
SCHEMBL3210586 0.79 ESR2 (0.48) ESR2NR1H2SLC6A3
SCHEMBL27621215 0.78 STS (0.52) ESR2NR1H2MEN1KMT2AMKNK1
SCHEMBL4756289 0.78 SLC6A3 (0.53) ESR2NR1H2MEN1KMT2AMAPK1
SCHEMBL3197591 0.78 SLC6A3 (0.55) ESR2NR1H2MAPK1SLC6A3POLB

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-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed