SCHEMBL6237822

SCHEMBL6237822

O=C(O)Cc1ccc(NCc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.75
FFAR4 Q5NUL3 2/20 0.75
RAB9A P51151 1/20 0.68
GFER P55789 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
ABCC4 O15439 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
PTGS1 P23219 1/20 0.53
HTT P42858 1/20 0.53
S1PR4 O95977 3/20 0.52
S1PR5 Q9H228 3/20 0.52
RORC P51449 1/20 0.51
GCG P01275 1/20 0.51
NR1H4 Q96RI1 3/20 0.50
CFD P00746 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL6235803 0.83 FFAR1 (0.60) FFAR1FFAR4RAB9AGFERSMN1; SMN2
SCHEMBL14044097 0.82 FFAR1 (0.66) FFAR1FFAR4RAB9ASMN1; SMN2TSHR
SCHEMBL10018553 0.81 RAB9A (0.69) FFAR1FFAR4RAB9AGFERSMN1; SMN2
SCHEMBL6243479 0.80 FFAR1 (0.56) FFAR1FFAR4RAB9AGFERSMN1; SMN2
SCHEMBL28408449 0.79 PTGS1 (0.66) FFAR1FFAR4RAB9AGFERSMN1; SMN2
SCHEMBL5447986 0.79 FFAR1 (0.84) FFAR1FFAR4RAB9AGFERSMN1; SMN2
SCHEMBL6238362 0.78 ABCC4 (0.59) FFAR1FFAR4ABCC4LMNAGAA
SCHEMBL5446291 0.77 HIF1A (0.69) FFAR1RAB9AGFERSMN1; SMN2GAA
SCHEMBL16439876 0.77 LMNA (0.80) FFAR1ABCC4LMNAGAATSHR
SCHEMBL27672046 0.76 ABCC4 (0.61) FFAR1FFAR4ABCC4LMNAGAA

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
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed