SCHEMBL7029638

SCHEMBL7029638

c1coc(CCCCCCCCCCc2ncco2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
CES1 P23141 2/20 0.38
NCEH1 Q6PIU2 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MAPT P10636 1/20 0.31

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
SCHEMBL7022926 1.00 FAAH (0.38) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL7027055 1.00 FAAH (0.38) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL11510236 0.89 FAAH (0.42) FAAHCES1
SCHEMBL21646062 0.89 TLR7 (0.37) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL10577731 0.89 FAAH (0.42) FAAHCES1
SCHEMBL14764836 0.89 HDAC3 (0.34) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL9596022 0.89 TLR7 (0.37) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL543465 0.89 FAAH (0.42) FAAHCES1
SCHEMBL7431163 0.89 FAAH (0.42) FAAHCES1
SCHEMBL18649069 0.89 FAAH (0.42) FAAHCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742258-B1 Compatibilizing agent and method of producing the same KRI INTERNATIONAL INC (JP) 2003-02-05 EP disclosed
US-5998575-A MIXTURE OF ACID, OLEFINIC POLYMER AND BISOXAZOLINE COMPOUND KRI INTERNATIONAL, INC. (JP) 1999-12-07 US disclosed
EP-0742258-A2 Compatibilizing agent and method of producing the same KRI International, Inc. (JP) 1996-11-13 EP disclosed