SCHEMBL7366498

SCHEMBL7366498

COc1ccc(CCC(=O)O)c(F)c1OC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
FFAR1 O14842 8/20 0.46
FFAR4 Q5NUL3 6/20 0.46
STING1 Q86WV6 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PTGER1 P34995 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4013922 0.88 POLB (0.51) POLBFFAR1FFAR4STING1LMNA
SCHEMBL27828872 0.87 POLB (0.54) POLBFFAR1FFAR4LMNA
SCHEMBL27828902 0.86 POLB (0.53) POLBFFAR1FFAR4
SCHEMBL490405 0.85 AOC3 (0.53) POLBFFAR1FFAR4KDM4EMAPT
SCHEMBL10618516 0.84 HSD17B10 (0.53) STING1KDM4EMAPTTDP1ALDH1A1
SCHEMBL31674134 0.83 MEP1B (0.53) POLBFFAR1FFAR4KDM4ETDP1
SCHEMBL21317656 0.83 TDP1 (0.54) POLBFFAR1FFAR4KDM4EMAPT
SCHEMBL29999191 0.83 TDP1 (0.54) POLBFFAR1FFAR4KDM4EMAPT
SCHEMBL7285138 0.82 PTGER1 (0.49) POLBKDM4EMAPTPTGER1
SCHEMBL8795706 0.81 POLB (0.51) POLBFFAR1FFAR4

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-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP disclosed