SCHEMBL6172244

SCHEMBL6172244

CCCCCC(OC)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.58
CA1 P00915 3/20 0.52
CA2 P00918 1/20 0.52
ABCB1 P08183 1/20 0.45
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
BIRC2 Q13490 4/20 0.43
GPR84 Q9NQS5 5/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.39
EPHX1 P07099 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL668999 0.98 ZDHHC7 (0.61) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL10487617 0.98 ZDHHC7 (0.61) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL11725954 0.98 ZDHHC7 (0.61) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL5200841 0.94 CA2 (0.59) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL27431806 0.86 ZDHHC7 (0.47) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL4431247 0.85 CA1 (0.47) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL28264658 0.84 ZDHHC7 (0.50) ZDHHC7CA1CA2ABCB1GPR84
SCHEMBL27842968 0.84 ZDHHC7 (0.50) ZDHHC7CA1CA2ABCB1GPR84
SCHEMBL8572230 0.84 ZDHHC7 (0.50) ZDHHC7CA1CA2ABCB1GPR84
SCHEMBL17586720 0.83 ZDHHC7 (0.40) ZDHHC7CA1CA2ABCB1

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-1556372-A2 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2005-07-27 EP disclosed
WO-2004041806-A2 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2004-05-21 WO disclosed