SCHEMBL9857907

SCHEMBL9857907

CCCCCCCCC(=O)OC(=O)C1=CC=CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.39
PRKCA P17252 6/20 0.39
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
NAAA Q02083 2/20 0.37
DNM1 Q05193 1/20 0.37
PAM P19021 2/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL453283 0.81 ALDH1A1 (0.50) TSHRLMNA
SCHEMBL42670 0.81 HSD17B3 (0.42) TSHRKMT2A
SCHEMBL766857 0.81 HSD17B3 (0.42) TSHRKMT2A
SCHEMBL8932157 0.79 HSD17B3 (0.41) KMT2A
Formaldehyde SCHEMBL9062631 0.79 ALDH1A1 (0.48) TSHRLMNA
SCHEMBL18554125 0.78 KMT2A (0.46) DGKATSHRKMT2ASMN1; SMN2LMNA
Hexadecane SCHEMBL5983357 0.77 TSHR (0.39) TSHRKMT2A
SCHEMBL3911174 0.71 CRHBP (0.31)
Dodecanoic Anhydride SCHEMBL28202517 0.71 DGKA (0.64) DGKATSHRKMT2ALMNAPAM
SCHEMBL9016067 0.71 HSD17B3 (0.51) DGKATSHRSMN1; SMN2LMNAPAM

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
EP-0294073-B1 PREPARATION OF ESTERS Interox Chemicals Limited (GB) 1991-12-11 EP disclosed
US-4908474-A Treating alkali metal phenol sulfonate with equimolar amount of benzoyl chloride and restricted amount of water and base INTEROX CHEMICALS LIMITED (GB) 1990-03-13 US disclosed
EP-0294073-A1 Preparation of esters Interox Chemicals Limited (GB) 1988-12-07 EP disclosed