SCHEMBL4610892

SCHEMBL4610892

CCCCCCCNC(=S)N(C)c1cccc(-c2ccc(C=CC(=O)O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
SELP P16109 6/20 0.47
SELE P16581 2/20 0.42
APP P05067 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
STS P08842 1/20 0.40
GAA P10253 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 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
SCHEMBL2083272 1.00 EGFR (0.48) EGFRSELPSELEAPPPTGS2
SCHEMBL4610891 1.00 EGFR (0.48) EGFRSELPSELEAPPPTGS2
SCHEMBL2083275 1.00 EGFR (0.48) EGFRSELPSELEAPPPTGS2
SCHEMBL2083411 0.91 EGFR (0.49) EGFRSELPSELEAPPPTGS2
SCHEMBL4228293 0.91 EGFR (0.49) EGFRSELPSELEAPPPTGS2
SCHEMBL2083408 0.91 EGFR (0.49) EGFRSELPSELEAPPPTGS2
SCHEMBL2081846 0.90 EGFR (0.44) EGFRAPPPTGS2
SCHEMBL2081849 0.90 EGFR (0.44) EGFRAPPPTGS2
SCHEMBL2085824 0.90 EGFR (0.47) EGFRSELPSELEAPPPTGS2
SCHEMBL2085821 0.90 EGFR (0.47) EGFRSELPSELEAPPPTGS2

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 claimed