SCHEMBL5131364

SCHEMBL5131364

O[C@@H]1CCCCC1Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 11/20 0.53
PTGS2 P35354 10/20 0.53
MT-CO1 P00395 1/20 0.53
MT-CO2 P00403 1/20 0.53
POLB P06746 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
SLC18A3 Q16572 1/20 0.41
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX1 P07099 1/20 0.40
TRPA1 O75762 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
SCHEMBL31429136 0.89 PTGS1 (0.44) PTGS1PTGS2MT-CO1MT-CO2POLB
SCHEMBL8414651 0.81 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2POLB
SCHEMBL8417619 0.81 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2POLB
SCHEMBL8414650 0.81 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2POLB
SCHEMBL8414647 0.81 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2POLB
SCHEMBL8417618 0.81 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2POLB
SCHEMBL25698186 0.79 PTGS1 (0.54) PTGS1PTGS2MT-CO1MT-CO2POLB
SCHEMBL25698182 0.79 PTGS1 (0.54) PTGS1PTGS2MT-CO1MT-CO2POLB
SCHEMBL11591641 0.79 PTGS1 (0.54) PTGS1PTGS2MT-CO1MT-CO2POLB
SCHEMBL19271011 0.78 POLB (0.43) POLBLMNAALOX12NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed