SCHEMBL9022352

SCHEMBL9022352

O=C(O)CCCCCCCCCCCn1nccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.53
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
PTGS1 P23219 4/20 0.48
PTGS2 P35354 4/20 0.48
PTGIR P43119 4/20 0.46
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
TLR2 O60603 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL22958943 0.91 LMNA (0.43) TBXAS1LMNATSHRNFKB1PMP22
SCHEMBL29993479 0.82 MAPK1 (0.47) TBXAS1LMNAALDH1A1
SCHEMBL29557268 0.77 TBXAS1 (0.44) TBXAS1LMNATSHRNFKB1PMP22
SCHEMBL29446289 0.77 TBXAS1 (0.44) TBXAS1LMNATSHRNFKB1PMP22
Sebacic Acid SCHEMBL27937400 0.71 TSHR (0.86) LMNATSHRNFKB1PMP22GPR84
SCHEMBL25186232 0.71 TSHR (1.00) LMNATSHRNFKB1PMP22GPR84
SCHEMBL596235 0.71 TSHR (1.00) LMNATSHRNFKB1PMP22GPR84
SCHEMBL166746 0.71 TSHR (1.00) LMNATSHRNFKB1PMP22GPR84
Sebacic Acid SCHEMBL20500595 0.71 TSHR (1.00) LMNATSHRNFKB1PMP22GPR84
Adipic Acid SCHEMBL5475921 0.71 TSHR (1.00) LMNATSHRNFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480901-B1 Azido-substituted fatty acid analog enzyme substrates UNIV WASHINGTON (US) 1996-06-19 EP disclosed
US-5397701-A Myristoylation at terminal glycines in proteins or peptides with CoA ester of the analog WASHINGTON UNIVERSITY (US) 1995-03-14 US disclosed
US-5338858-A Viricides WASHINGTON UNIVERSITY (US) 1994-08-16 US disclosed
EP-0480901-A1 Azido-substituted fatty acid analog enzyme substrates WASHINGTON UNIVERSITY (US) 1992-04-15 EP disclosed