SCHEMBL11600488

SCHEMBL11600488

O=C(O)CCCCCCCCC(=O)OCCC1CN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
TSHR P16473 5/20 0.40
LMNA P02545 2/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PAM P19021 2/20 0.39
DNM1 Q05193 1/20 0.36
GPR84 Q9NQS5 4/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
NPC1 O15118 1/20 0.35
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
HDAC11 Q96DB2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
TLR2 O60603 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
SCHEMBL21954065 0.83 DGKA (0.59) DGKATSHRLMNAALDH1A1PAM
SCHEMBL7538069 0.78 DGKA (0.64) DGKATSHRLMNANFKB1PMP22
SCHEMBL586052 0.78 DGKA (0.64) DGKATSHRLMNANFKB1PMP22
SCHEMBL3503265 0.78 DGKA (0.64) DGKATSHRLMNANFKB1PMP22
SCHEMBL4401743 0.78 DGKA (0.64) DGKATSHRLMNANFKB1PMP22
SCHEMBL27343249 0.78 DGKA (0.64) DGKATSHRLMNANFKB1PMP22
SCHEMBL873939 0.78 DGKA (0.64) DGKATSHRLMNANFKB1PMP22
SCHEMBL3503544 0.78 DGKA (0.64) DGKATSHRLMNANFKB1PMP22
SCHEMBL3503100 0.78 DGKA (0.64) DGKATSHRLMNANFKB1PMP22
SCHEMBL8537018 0.76 DGKA (0.38) DGKATDP1

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
US-4115166-A ALKYLENE IMINE ADDUCT OF DIVINYLBENZENE, SOLID ROCKET PROPELLANT AEROJET-GENERAL CORPORATION (US) 1978-09-19 US disclosed