SCHEMBL6576126

SCHEMBL6576126

CCC1COC(c2ccc(C3=NC(CC)CO3)cc2)=N1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7691543 0.91 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10358866 0.91 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL13980023 0.91 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10519979 0.87 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL14352056 0.85 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10520143 0.84 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL1263491 0.81 ATM (0.43) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10520372 0.81 ATM (0.39) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL16487743 0.81 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL8087299 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4806267-A Liquid aromatic bisoxazoline and bisoxazine monomer mixtures and process for crosslinking using phenolics ASHLAND OIL, INC. (US) 1989-02-21 US claimed
EP-0866097-B1 FLAME-RETARDANT, ANTISTATIC POLYESTER RESIN COMPOSITION KANEKA CORP (JP) 2004-01-07 EP disclosed
US-6096818-A COMPOSITION COMPRISING THERMOPLASTIC POLYESTER, BROMINE-CONTAINING FLAME RETARDANT, ANTIMONY COMPOUND, CONDUCTIVE CARBON BLACK PARTICLES KANEKA CORPORATION (JP) 2000-08-01 US disclosed
EP-0866097-A1 FLAME-RETARDANT, ANTISTATIC POLYESTER RESIN COMPOSITION KANEKA CORPORATION (JP) 1998-09-23 EP disclosed
US-4841002-A Liquid aromatic bisoxazoline and disoxazine monomer mixtures cured with polyphenolic compounds ASHLAND OIL, INC (US) 1989-06-20 US disclosed
US-4806267-A Liquid aromatic bisoxazoline and bisoxazine monomer mixtures and process for crosslinking using phenolics ASHLAND OIL, INC. (US) 1989-02-21 US disclosed