SCHEMBL6252487

SCHEMBL6252487

CCCCCCCC(=O)NCc1ccccc1-c1ccc(Nc2ccccc2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SOAT1 P35610 2/20 0.47
EPHX2 P34913 3/20 0.45
HTT P42858 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
FAAH O00519 2/20 0.40
HTR7 P34969 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL5374269 0.83 TSHR (0.43) TSHRSOAT1LTB4R2L3MBTL1
SCHEMBL9848399 0.81 EPHX2 (0.59) TSHREPHX2HTTFAAHCNR1
SCHEMBL27574988 0.73 EPHX2 (0.53) SOAT1EPHX2HTTLTB4R2FAAH
SCHEMBL30525093 0.73 EPHX2 (0.73) EPHX2HTTFAAHCNR1CNR2
SCHEMBL225174 0.73 EPHX2 (0.73) EPHX2HTTFAAHCNR1CNR2
SCHEMBL27720194 0.72 EPHX2 (0.52) SOAT1EPHX2HTTLTB4R2FAAH
SCHEMBL8488501 0.72 TSHR (0.64) TSHRSOAT1HTTHDAC3HDAC1
SCHEMBL27574919 0.71 EPHX2 (0.51) SOAT1EPHX2HTTLTB4R2FAAH
SCHEMBL10630135 0.70 GAA (0.53) TSHRHTT
SCHEMBL5365089 0.70 AOC3 (0.46) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572629-A1 COMPOUNDS WHICH MODULATE PPARϝ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-14 EP disclosed
WO-2004052840-A1 COMPOUNDS WHICH MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-24 WO disclosed