SCHEMBL5505115

SCHEMBL5505115

CCCCOc1cc(CCC(=O)OC)ccc1-c1cccc(C[AsH]C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.42
PTPN1 P18031 2/20 0.41
TLR7 Q9NYK1 1/20 0.40
PTPN11 Q06124 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
RXRA P19793 1/20 0.39
AKR1C3 P42330 1/20 0.39
VDR P11473 1/20 0.38
PPARD Q03181 1/20 0.38
CNR2 P34972 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
FFAR4 Q5NUL3 2/20 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
SCHEMBL4967992 0.87 HTR7 (0.47) FFAR1PTPN1TLR7PTPN11HDAC1
SCHEMBL2085769 0.84 PTPN1 (0.43) FFAR1PTPN1TLR7HDAC1HDAC2
SCHEMBL4969393 0.83 AKR1C3 (0.41) FFAR1PTPN1TLR7PTPN11HDAC1
SCHEMBL4967970 0.83 AKR1C3 (0.40) FFAR1PTPN1TLR7PTPN11RXRA
SCHEMBL4969375 0.82 PTPN11 (0.41) FFAR1PTPN1PTPN11RXRAAKR1C3
SCHEMBL4968022 0.82 PTPN11 (0.41) FFAR1PTPN1PTPN11RXRAAKR1C3
SCHEMBL4970767 0.81 KMT2A (0.42) FFAR1PTPN1AKR1C3CYP11B1CYP11B2
SCHEMBL4971612 0.81 GLS (0.40) FFAR1PTPN1TLR7PTPN11HDAC1
SCHEMBL4970326 0.81 HSD17B2 (0.46) FFAR1PTPN11HDAC1HDAC2
SCHEMBL4968914 0.80 HSD17B2 (0.48) FFAR1VDRPPARD

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 disclosed
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 disclosed