SCHEMBL27720194

SCHEMBL27720194

CCCCCCCCC(=O)NCc1ccccc1-c1ccc(C=CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.52
FAAH O00519 2/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
SOAT1 P35610 2/20 0.48
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47

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
SCHEMBL4969352 0.80 EPHX2 (0.57) EPHX2FAAHCNR1CNR2
SCHEMBL4969451 0.80 EPHX2 (0.57) EPHX2FAAHCNR1CNR2
SCHEMBL27574988 0.79 EPHX2 (0.53) EPHX2FAAHLTB4R2HDAC3HDAC4
SCHEMBL30525093 0.77 EPHX2 (0.73) EPHX2FAAHCNR1CNR2HTT
SCHEMBL225174 0.77 EPHX2 (0.73) EPHX2FAAHCNR1CNR2HTT
SCHEMBL27574919 0.75 EPHX2 (0.51) EPHX2FAAHLTB4R2SOAT1CNR1
Cinnamic Acid SCHEMBL28752126 0.74 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7969707 0.74 TUBB4A (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7969700 0.74 TUBB4A (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6252487 0.72 TSHR (0.50) EPHX2FAAHLTB4R2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296897-A PPAR-modulating biaromatic compounds GALDERMA RES & DEV (FR) 2008-10-29 CN disclosed