SCHEMBL8769207

SCHEMBL8769207

COc1ccc(C(N)c2ccc(OCCCC(=O)O)cc2)c(C(=O)OCc2cccc3c2Cc2ccccc2-3)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 9/20 0.41
▸ FFAR1 O14842 5/20 0.41
▸ ESR1 P03372 1/20 0.37
▸ FABP3 P05413 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ SRD5A1 P18405 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33

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
SCHEMBL8769214 0.79 SRD5A1 (0.44) FFAR4FFAR1ESR1FABP3FABP4
SCHEMBL31429573 0.72 KMT2A (0.41) MAPTL3MBTL1
SCHEMBL26105549 0.72 ESR1 (0.47) ESR1GAAPOLBL3MBTL1
SCHEMBL4205511 0.71 FFAR1 (0.49) FFAR4FFAR1ESR1PTPN1GAA
SCHEMBL7860715 0.69 KMT2A (0.42) GAAMAPTL3MBTL1
SCHEMBL2526272 0.69 GAA (0.53) FFAR4FFAR1ESR1GAAPOLB
SCHEMBL5497721 0.68 PNMT (0.48) FFAR4GAASRD5A2
Alanine SCHEMBL28199420 0.68 PNMT (0.46) GAAMAPTL3MBTL1
SCHEMBL6807840 0.68 PNMT (0.48) GAAPOLB
SCHEMBL6807832 0.68 PNMT (0.48) GAAPOLB

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-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 — — EP disclosed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 — — WO disclosed
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