SCHEMBL10535975

SCHEMBL10535975

CC(OC(=O)CCC(=O)O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ACE P12821 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
NR4A2 P43354 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7576072 0.95 MTNR1A (0.47) FFAR1MTNR1AMTNR1BACETSHR
SCHEMBL7753878 0.87 MTNR1A (0.44) FFAR1MTNR1AMTNR1BTSHRALDH1A1
SCHEMBL10528965 0.85 MTNR1A (0.43) FFAR1MTNR1AMTNR1BACETSHR
Butyric Acid SCHEMBL538385 0.84 FFAR1 (0.43) FFAR1MTNR1AMTNR1BTSHRALDH1A1
SCHEMBL10527159 0.84 ALDH1A1 (0.45) FFAR1MTNR1AMTNR1BTSHRALDH1A1
SCHEMBL974817 0.83 MTNR1A (0.46) MTNR1AMTNR1BTSHRALDH1A1CYP1A2
SCHEMBL29175524 0.83 LMNA (0.51) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL7492100 0.81 LMNA (0.54) KDM4ETSHRALDH1A1CYP1A2CYP2C9
SCHEMBL14698120 0.81 LMNA (0.54) KDM4ETSHRALDH1A1CYP1A2CYP2C9
SCHEMBL29743339 0.81 FAAH (0.51) FFAR1PKMPPARGPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4846883-A AROMATIC OXYALKYL ESTERS REANAL FINOMVEGYSZERGYAR (HU) 1989-07-11 US disclosed
EP-0224551-A1 NEW SUCCINIC ACID DERIVATIVES, PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM AND A PROCESS FOR THE PREPARATION THEREOF REANAL FINOMVEGYSZERGYAR (HU) 1987-06-10 EP disclosed
WO-1986007354-A1 NEW SUCCINIC ACID DERIVATIVES, PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM AND A PROCESS FOR THE PREPARATION THEREOF REANAL FINOMVEGYSZERGYÁR (HU) 1986-12-18 WO disclosed