SCHEMBL6244657

SCHEMBL6244657

COC(=O)COc1ccc(OCc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.60
FFAR4 Q5NUL3 11/20 0.60
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 1/20 0.51
PPARD Q03181 1/20 0.50
ADAMTS4 O75173 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.50
FAAH O00519 1/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL6242662 0.86 FFAR1 (0.64) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL6238462 0.85 FFAR1 (0.70) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL1747337 0.84 FFAR1 (0.77) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL6242343 0.83 FFAR1 (0.60) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL6163614 0.82 MAPT (0.69) MAPTALDH1A1FAAHMEN1POLB
SCHEMBL13918253 0.80 FFAR1 (0.61) FFAR1MAPTALDH1A1PPARDADAMTS5
SCHEMBL6238338 0.80 FFAR1 (0.66) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL810045 0.79 RAB9A (0.63) FFAR1FFAR4MAPTALDH1A1MEN1
Benzene SCHEMBL28258789 0.78 ALOX15 (0.63) MAPTALDH1A1PPARDFAAHMEN1
SCHEMBL27718811 0.78 FFAR1 (0.62) FFAR1FFAR4PTGER1PTGER4PTGER3

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
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed