SCHEMBL28595408

SCHEMBL28595408

CCCCCCCCCCCCCCCCC(OC)(OC(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
CES2 O00748 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
GPR84 Q9NQS5 5/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34

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
SCHEMBL28300502 0.91 LMNA (0.43) LMNAMEN1KMT2AHSD17B10CES2
SCHEMBL29563460 0.86 CES2 (0.42) MEN1KMT2AHSD17B10CES2PPARG
Stearic Acid SCHEMBL10667125 0.84 GPR84 (0.53) LMNAMEN1KMT2AHSD17B10RECQL
SCHEMBL27689322 0.82 LMNA (0.36) LMNAKMT2AACE2GPR84TDP1
Glycerin SCHEMBL28341766 0.80 KDM4E (0.45) LMNAMEN1KMT2AGPR84FFAR1
SCHEMBL11218810 0.78 LMNA (0.41) LMNACES2
SCHEMBL6929076 0.78 TDP1 (0.36) MEN1KMT2AHSD17B10PPARGPPARD
SCHEMBL30441966 0.74 CES2 (0.42) MEN1KMT2AHSD17B10CES2PPARG
SCHEMBL28595378 0.73 GPR84 (0.47) LMNAMEN1KMT2AHSD17B10RECQL
SCHEMBL19371882 0.73 CES2 (0.41) MEN1KMT2ACES2

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
CN-112867751-A Dispersants for coating systems 巴斯夫欧洲公司 2021-05-28 CN disclosed