SCHEMBL16428864

SCHEMBL16428864

CC1CC2CC(C1)CC(OC(=O)c1ccc(Br)cc1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.56
PTPN1 P18031 2/20 0.56
PTPRF P10586 1/20 0.56
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRNA7 P36544 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
POLB P06746 1/20 0.40
SCN1A P35498 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
SCHEMBL11937115 0.82 CHRNA7 (0.51) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL27964590 0.77 PTPN2 (0.71) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL21374400 0.76 PTPN2 (0.57) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL27517068 0.74 PTPRF (0.67) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL5342278 0.74 PTPN1 (0.50) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL5693987 0.74 PTPN1 (0.50) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL5347262 0.74 PTPN1 (0.50) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL28376780 0.72 CHRNA7 (0.62) MEN1KMT2ALMNACHRNA7HTR3E
SCHEMBL13169508 0.72 PTPRF (0.65) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL20447872 0.72 PTPN2 (0.59) PTPN2PTPN1PTPRFMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031847-A1 METHOD OF FORMING POLYARYL POLYMERS DOW GLOBAL TECHNOLOGIES LLC 2015-01-29 US disclosed