SCHEMBL8468005

SCHEMBL8468005

O=C(O)[C@@](O)(Cl)COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARA Q07869 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.41
PARP10 Q53GL7 1/20 0.41
KCNA3 P22001 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
SCHEMBL1019370 0.82 ALOX15 (0.50) ALOX15MTNR1AMTNR1BPKMKMT2A
SCHEMBL3465226 0.79 PPARA (0.47) ALOX15MTNR1AMTNR1BPKMHPGD
SCHEMBL5822902 0.78 ALOX15 (0.46) ALOX15MTNR1AMTNR1BPKMKMT2A
SCHEMBL8103778 0.77 ALOX15 (0.48) ALOX15MTNR1AMTNR1BPKMKMT2A
SCHEMBL7805112 0.77 PPARA (0.49) ALOX15MTNR1AMTNR1BPKMHPGD
SCHEMBL11440739 0.75 KCNA3 (0.46) ALOX15PKMCYP2C9CYP2C19RECQL
SCHEMBL11191140 0.74 KCNA3 (0.50) ALOX15PKMNPC1RAB9ASMN1; SMN2
SCHEMBL7486997 0.74 ALDH1A1 (0.50) ALOX15PKMCYP2C9CYP2C19RECQL
SCHEMBL5724626 0.74 PPARA (0.58) ALOX15PPARACYP2C9
Acetic Acid SCHEMBL10738326 0.74 MAPT (0.44) ALOX15MTNR1AMTNR1BPKMNPC1

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
US-5886209-A CATALYTIC ESTERIFICATION OF THE CHIRALIC CARBOXYLIC ACID IN PRESENCE OF A DISTILLABLE ACID CATALYST WITH AN ALCOHOL, WITHOUT PURIFICATION OF THE BOTTOMS PRODUCT, REPEATING THE ESTERIFICATION STEP BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed