SCHEMBL4002907

SCHEMBL4002907

NC(=O)C1(O)C=CC=C(c2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
BCAT2 O15382 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC4 P56524 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CYP2C19 P33261 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9006818 0.87 THRB (0.35) LMNAHDAC1HDAC2HDAC4NPC1
SCHEMBL10872336 0.81 SRR (0.33) LMNABCAT2HDAC4NPC1RAB9A
SCHEMBL6849682 0.76 CYP3A4 (0.31) TDP1CYP3A4HSD17B10ALDH1A1
SCHEMBL5067245 0.76 HDAC1 (0.35) LMNAHDAC1HDAC2NPC1RAB9A
SCHEMBL8957775 0.75 HDAC1 (0.37) LMNAHDAC1HDAC2NPC1RAB9A
SCHEMBL29007685 0.75 HDAC4 (0.32) LMNABCAT2HDAC4NPC1RAB9A
Hydrochloric Acid SCHEMBL5072257 0.75 HDAC1 (0.34) HDAC1HDAC2NPC1RAB9A
SCHEMBL4619747 0.75 HDAC4 (0.33) LMNAHDAC1HDAC2HDAC4NPC1
Methane SCHEMBL28875106 0.74 HDAC1 (0.36) LMNAHDAC1HDAC2NPC1RAB9A
SCHEMBL28658397 0.73 HDAC1 (0.33) LMNAHDAC1HDAC2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066621-A1 SYNTHESIS, POLYMORPHS, AND PHARMACEUTICAL FORMULATION OF A FAAH INHIBITOR N.V. Organon (NL) 2009-06-10 EP disclosed
CN-100408556-C Modulation of anxiety by blocking hydrolysis of arachidonoylethanolamide UNIV CALIFORNIA (US) 2008-08-06 CN disclosed
WO-2008022976-A1 SYNTHESIS, POLYMORPHS, AND PHARMACEUTICAL FORMULATION OF A FAAH INHIBITOR N.V. ORGANON (NL) 2008-02-28 WO disclosed
CN-1729171-A Modulation of anxiety by blocking hydrolysis of arachidonoylethanolamide UNIV CALIFORNIA (US) 2006-02-01 CN disclosed