SCHEMBL5502667

SCHEMBL5502667

CCCCCCCC(=O)N(C)Cc1ccc(C)c(-c2ccc(CCC(=O)O)cc2)c1.CCCCCCCC(=O)N(C)Cc1cccc(-c2ccc(/C=C/C(=O)O)cc2OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 14/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 2/20 0.44
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
AKR1C2 P52895 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL5502668 1.00 AKR1C3 (0.46) AKR1C3KDM4ELMNAFFAR1FFAR4
SCHEMBL5654914 0.89 KDM4E (0.55) AKR1C3KDM4ELMNAAKR1C4AKR1C1
SCHEMBL5654907 0.89 KDM4E (0.55) AKR1C3KDM4ELMNAAKR1C4AKR1C1
SCHEMBL4972553 0.85 FFAR1 (0.48) FFAR1FFAR4LTB4RLTB4R2
SCHEMBL4969599 0.83 AKR1C3 (0.52) AKR1C3KDM4ELMNAAKR1C2LTB4R
SCHEMBL4969588 0.83 AKR1C3 (0.52) AKR1C3KDM4ELMNAAKR1C2LTB4R
SCHEMBL4970102 0.81 FFAR4 (0.49) LMNAFFAR1FFAR4LTB4RLTB4R2
SCHEMBL5651537 0.80 ALDH1A1 (0.46) AKR1C3KDM4EAKR1C2LTB4RLTB4R2
SCHEMBL5651543 0.80 ALDH1A1 (0.46) AKR1C3KDM4EAKR1C2LTB4RLTB4R2
SCHEMBL4970822 0.80 RARB (0.46) FFAR1FFAR4LTB4R2

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-1781274-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP claimed
WO-2006018325-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 WO claimed