SCHEMBL8103778

SCHEMBL8103778

O=C(O)C(O)(COc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
PKM P14618 1/20 0.43
PPARA Q07869 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 1/20 0.41
FFAR1 O14842 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP10 Q53GL7 1/20 0.41
KCNA3 P22001 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MLYCD O95822 1/20 0.40
GGPS1 O95749 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL16820292 0.84 CES1 (0.46) ALOX15PKMCYP2C9CYP2C19PARP10
SCHEMBL27650813 0.78 ALOX15 (0.46) ALOX15PKMPPARACYP2C9CYP2C19
SCHEMBL28184791 0.78 PPARA (0.46) ALOX15PKMPPARACYP2C19ALDH1A1
SCHEMBL8468005 0.77 ALOX15 (0.48) ALOX15PKMPPARACYP2C9CYP2C19
SCHEMBL7805112 0.77 PPARA (0.49) ALOX15PKMPPARAALDH1A1MTNR1A
SCHEMBL29097238 0.76 KMT2A (0.42) CYP2C19ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL9404914 0.75 HDAC1 (0.43) ALOX15PKMPPARAMEN1KMT2A
SCHEMBL7486997 0.74 ALDH1A1 (0.50) ALOX15PKMCYP2C9CYP2C19ALDH1A1
SCHEMBL1019370 0.74 ALOX15 (0.50) ALOX15PKMPPARACYP2C9CYP2C19
SCHEMBL5724626 0.74 PPARA (0.58) ALOX15PPARACYP2C9

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-1003709-A1 FUNGICIDAL COMPOUNDS HAVING A FLUOROVINYLOXYPHENYL MOIETY AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2000-05-31 EP disclosed
WO-1999007665-A1 FUNGICIDAL COMPOUNDS HAVING A FLUOROVINYLOXYPHENYL MOIETY AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-02-18 WO disclosed