SCHEMBL5072154

SCHEMBL5072154

CCCCCN(C(O)CCCC)C(O)CCCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.44
GPR84 Q9NQS5 4/20 0.35
SPHK1 Q9NYA1 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GGPS1 O95749 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL9807849 0.98 DNM1 (0.48) DNM1GPR84SPHK1CA12CA1
SCHEMBL1548798 0.93 ALDH1A1 (0.36) DNM1GPR84SPHK1CA12CA1
SCHEMBL4939464 0.91 DNM1 (0.44) DNM1GPR84SPHK1CA12CA1
SCHEMBL4618928 0.90 ALDH1A1 (0.37) DNM1GPR84SPHK1CA1CA2
SCHEMBL9807814 0.88 DNM1 (0.48) DNM1GPR84SPHK1CA12CA1
SCHEMBL9807850 0.88 DNM1 (0.48) DNM1GPR84SPHK1CA12CA1
SCHEMBL465289 0.88 ALDH1A1 (0.36) DNM1GPR84SPHK1CA1CA2
SCHEMBL465302 0.86 GPR84 (0.40) GPR84SPHK1FFAR1LMNA
SCHEMBL16105080 0.86 GPR84 (0.45) GPR84SPHK1FFAR1LMNA
Hydrochloric Acid SCHEMBL15820824 0.85 ALDH1A1 (0.40) SPHK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900785-A1 Ink Composition for Inkjet Recording Samsung Electronics Co., Ltd. (KR) 2008-03-19 EP claimed
EP-1900785-A1 Ink Composition for Inkjet Recording Samsung Electronics Co., Ltd. (KR) 2008-03-19 EP disclosed