SCHEMBL6701706

SCHEMBL6701706

CCOC=C(c1ccccc1)c1ccccc1.COC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
AKT1 P31749 1/20 0.35
ATM Q13315 1/20 0.34
NPC1 O15118 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 3/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL660285 0.92 MTNR1A (0.39) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL28728329 0.86 TSHR (0.44) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL28846188 0.76 TSHR (0.41) TSHRLMNAMAPK1L3MBTL1AKT1
SCHEMBL10606928 0.76 CYP1B1 (0.40) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL22723000 0.75 SMN1; SMN2 (0.38) LMNAMAPK1L3MBTL1KMT2AMEN1
SCHEMBL30827272 0.75 KDM1A (0.39) LMNAMAPK1HTTL3MBTL1ATM
SCHEMBL7877634 0.74 LTA4H (0.43) TSHRLMNAL3MBTL1CES2CES1
SCHEMBL17239095 0.73 ATM (0.36) TSHRLMNAMAPK1HTTL3MBTL1
SCHEMBL19524505 0.73 KMT2A (0.40) TSHRLMNAMAPK1L3MBTL1ATM
SCHEMBL11880188 0.73 LTA4H (0.43) TSHRLMNAMAPK1ALDH1A1CES2

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-6790909-B2 INITIATOR FUNCTIONS SUITABLE FOR CATIONIC POLYMERIZATION INTO THE MACROINITIATOR. EXAMPLES OF SUCH INTERESTING INITIATOR FUNCTIONS ARE GROUPS CONTAINING HALOGEN OR SULFONYL CHLORIDE BASF AKTIENGESELLSCHAFT (DE) 2004-09-14 US disclosed
US-20040024145-A1 Graft copolymers, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed