SCHEMBL4611224

SCHEMBL4611224

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C=CC(=O)O)cc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
SELP P16109 6/20 0.46
APP P05067 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
SELE P16581 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL2083411 0.80 EGFR (0.49) EGFRSELPAPPKDM4ENPC1
SCHEMBL2083408 0.80 EGFR (0.49) EGFRSELPAPPKDM4ENPC1
SCHEMBL4228293 0.80 EGFR (0.49) EGFRSELPAPPKDM4ENPC1
SCHEMBL2085821 0.79 EGFR (0.47) EGFRSELPAPPKDM4ENPC1
SCHEMBL2085824 0.79 EGFR (0.47) EGFRSELPAPPKDM4ENPC1
SCHEMBL2083594 0.78 SELP (0.46) EGFRSELPAPPKDM4ENPC1
SCHEMBL2083592 0.78 SELP (0.46) EGFRSELPAPPKDM4ENPC1
SCHEMBL3200016 0.77 NAAA (0.50) EGFRALDH1A1LTB4R2NAAA
SCHEMBL4611217 0.77 APP (0.48) EGFRSELPAPP
SCHEMBL4611221 0.77 APP (0.48) EGFRSELPAPP

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
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP disclosed