SCHEMBL9164909

SCHEMBL9164909

CCCCCCCCCC(=O)Nc1cc(NC(=O)CCCCCCCCC)cc(NC(=O)OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SOAT2 O75908 1/20 0.54
SOAT1 P35610 1/20 0.54
CNR2 P34972 2/20 0.53
EPHX2 P34913 1/20 0.52
MGLL Q99685 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51
HDAC3 O15379 3/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
ICMT O60725 1/20 0.51
ALB P02768 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CNR1 P21554 1/20 0.50
HDAC8 Q9BY41 4/20 0.49

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
SCHEMBL9170066 0.83 CNR2 (0.49) MEN1KMT2ASOAT2SOAT1CNR2
SCHEMBL9171172 0.81 FAAH (0.56) CNR2MGLLPOLBCNR1
SCHEMBL28204578 0.81 KMT2A (0.58) MEN1KMT2AEPHX2ALDH1A1
SCHEMBL6924982 0.81 MEN1 (0.67) MEN1KMT2AEPHX2POLBHDAC3
SCHEMBL9363077 0.81 CNR2 (0.53) MEN1KMT2ASOAT2SOAT1CNR2
SCHEMBL9166613 0.80 CNR2 (0.53) CNR2EPHX2MGLLCNR1
SCHEMBL7094107 0.80 EPHX2 (0.62) MEN1KMT2ACNR2EPHX2HDAC3
SCHEMBL16298782 0.80 FAAH (0.47) MEN1KMT2ASOAT2SOAT1CNR2
SCHEMBL1708339 0.80 POLB (0.57) KMT2AMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL16325305 0.80 FAAH (0.47) MEN1KMT2ASOAT2SOAT1CNR2

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
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 EP disclosed