SCHEMBL8968079

SCHEMBL8968079

CCOC(=O)NN=C=NNC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
GAA P10253 2/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MIF P14174 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.34
CAD P27708 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 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
SCHEMBL8158146 0.79
SCHEMBL472886 0.76
SCHEMBL16384675 0.76 GAA (0.36) ALOX15GAACYP1A2CYP2C19CYP2C9
SCHEMBL459823 0.75
Urethane SCHEMBL7112256 0.74 ALOX15 (0.56) ALOX15GAACYP1A2CYP2C19CYP2C9
SCHEMBL28349630 0.72 ALOX15 (0.46) ALOX15GAACYP1A2CYP2C19CYP2C9
SCHEMBL8475744 0.69 ALOX15 (0.43) ALOX15GAACYP1A2CYP2C19CYP2C9
SCHEMBL32131 0.69 ALOX15 (0.52) ALOX15GAACYP1A2CYP2C19CYP2C9
SCHEMBL9644530 0.69
SCHEMBL420598 0.69

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
EP-0500214-B1 Process for preparing foams ICI PLC (GB) 1996-02-28 EP disclosed
EP-0403066-B1 C02 blown integral skin foams ICI PLC (GB) 1994-08-03 EP disclosed
US-5234960-A PROCESS FOR PREPARING FOAMS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
EP-0500214-A2 Process for preparing foams IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-26 EP disclosed
US-5071881-A Reacting an organic polyisocyanate, an isocyanate reactive composition and an inert blowing agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-10 US disclosed
EP-0403066-A2 C02 blown integral skin foams IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-12-19 EP disclosed