SCHEMBL6542235

SCHEMBL6542235

O=C(O)CCCCCCCCCCCCCCC(O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
LMNA P02545 3/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
GPR84 Q9NQS5 8/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
PTPN1 P18031 3/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
FABP4 P15090 2/20 0.50
ALOX15 P16050 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL23727589 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL31095029 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL20495315 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL6556916 0.97 LMNA (0.61) TSHRLMNANFKB1PMP22GPR84
Sulfuric Acid SCHEMBL31732373 0.91 TSHR (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL2784985 0.89 LMNA (0.56) TSHRLMNANFKB1PMP22GPR84
Stearic Acid SCHEMBL30332067 0.84 GPR84 (0.71) TSHRLMNAGPR84FFAR1FFAR4
SCHEMBL20551232 0.84 FASN (0.62) LMNAPPARGPPARDPPARAPTPN1
SCHEMBL31365175 0.80 TSHR (0.57) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL31435886 0.80 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112374979-B Preparation method of erythro-eleostearic acid 中国林业科学研究院资源昆虫研究所 2023-02-17 CN disclosed
EP-3827446-A1 ELECTRICALLY CONDUCTIVE CELLULOSE-BASED COMPOSITE MATERIAL Fondazione Istituto Italiano di Tecnologia (IT) 2021-06-02 EP disclosed
CN-112374979-A Preparation method of erythro-eleostearic acid 中国林业科学研究院资源昆虫研究所 2021-02-19 CN disclosed
WO-2020021413-A1 ELECTRICALLY CONDUCTIVE CELLULOSE-BASED COMPOSITE MATERIAL FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-01-30 WO disclosed
EP-1009398-A4 MOLECULAR COMPLEX AND CONTROL-RELEASE OF ALPHA HYDROXYACIDS YU RUEY J (US) 2004-06-23 EP disclosed
EP-1009398-A1 MOLECULAR COMPLEX AND CONTROL-RELEASE OF ALPHA HYDROXYACIDS Yu, Ruey J., Dr. (US) 2000-06-21 EP disclosed
WO-1998046217-A1 MOLECULAR COMPLEX AND CONTROL-RELEASE OF ALPHA HYDROXYACIDS YU RUEY J (US) 1998-10-22 WO disclosed