SCHEMBL6949696

SCHEMBL6949696

[CH2]C(=O)N(C)CCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.48
EPHX2 P34913 7/20 0.46
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
GGPS1 O95749 3/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40

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
SCHEMBL15766535 1.00 DNM1 (0.48) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL15766252 1.00 DNM1 (0.48) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL15766679 1.00 DNM1 (0.48) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL6547875 1.00 DNM1 (0.48) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL15766251 1.00 DNM1 (0.48) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL15766492 1.00 DNM1 (0.48) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL6546840 0.98 DNM1 (0.44) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL498120 0.91
SCHEMBL20625249 0.81 EPHX2 (0.62) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL11634642 0.81 EPHX2 (0.62) DNM1EPHX2S1PR2S1PR1S1PR3

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
EP-1105377-B1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-10-08 EP disclosed
US-6559155-B1 Phospholipase A2 enzyme Lipoprotein Associated Phospholipase A2 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-06 US disclosed
EP-0853077-B1 Process for producing alkyl 3-amino-4-substituted benzoates SANKIO CHEMICAL CO LTD (JP) 2003-04-16 EP disclosed
EP-1105377-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2001-06-13 EP disclosed
WO-2000010980-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2000-03-02 WO disclosed
US-5908955-A 3-AMINO-4-SUBSTITUTED BENZOIC ACID OR AN ALKALI METAL SALT THEREOF IS ALLOWED TO REACT WITH AN ALKYL HALIDE IN THE PRESENCE OF A BASIC CARBONATE SANKIO CHEMICAL CO., LTD. (JP) 1999-06-01 US disclosed
EP-0853077-A1 Process for producing alkyl 3-amino-4-substituted benzoates Sankio Chemical Co., Ltd. (JP) 1998-07-15 EP disclosed