SCHEMBL9668951

SCHEMBL9668951

CCCCCOCC(=O)CCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.57
CES2 O00748 2/20 0.55
AKR1B1 P15121 1/20 0.50
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL25582961 0.98 PLA2G4B (0.60) PLA2G4BCES2AKR1B1KMT2AMAPT
SCHEMBL11518751 0.91 PLA2G4B (0.52) PLA2G4BCES2AKR1B1KMT2AMAPT
SCHEMBL11242983 0.84 CES2 (0.64) PLA2G4BCES2KMT2AMAPTGPR84
SCHEMBL8567370 0.84 CES2 (0.64) PLA2G4BCES2KMT2AMAPTGPR84
Succinic Acid SCHEMBL25269545 0.84 GPR84 (0.62) CES2AKR1B1KMT2AMAPTGPR84
Succinic Acid SCHEMBL9067565 0.84 GPR84 (0.62) CES2AKR1B1KMT2AMAPTGPR84
Succinic Acid SCHEMBL27667618 0.84 GPR84 (0.62) CES2AKR1B1KMT2AMAPTGPR84
SCHEMBL2430018 0.83 CES2 (0.68) PLA2G4BCES2KMT2AMAPTTSHR
SCHEMBL10888770 0.82 CES2 (0.57) PLA2G4BCES2AKR1B1KMT2AMAPT
Succinic Acid SCHEMBL8161265 0.82 GPR84 (0.60) CES2AKR1B1KMT2AMAPTGPR84

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-3903824-A1 SKIN PROBIOTIC The Regents of The University of California (US) 2021-11-03 EP disclosed
US-5166167-A Fungicides ROUSSEL UCLAF (FR) 1992-11-24 US disclosed