SCHEMBL18533290

SCHEMBL18533290

Cc1ccc2c(c1)C(=O)C(C)CC=C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.51
METAP1 P53582 3/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ELANE P08246 1/20 0.34
CYP19A1 P11511 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2874247 0.72 CHRNB2 (0.38) ACHECA1CA2TDP1
SCHEMBL2481939 0.68 ACHE (1.00) ACHEMETAP1MAOAMAOBPARP1
SCHEMBL29893908 0.68 ACHE (1.00) ACHEMETAP1MAOAMAOBPARP1
SCHEMBL13967835 0.66 CA1 (0.45) ACHEMETAP1MAOAMAOBELANE
SCHEMBL8693800 0.66 ACHE (0.69) ACHEMETAP1PARP1PARP10
SCHEMBL2484416 0.65 ACHE (0.73) ACHEMETAP1MAOAMAOBELANE
SCHEMBL2229729 0.65 ACHE (0.44) ACHEMETAP1MAOAMAOBELANE
SCHEMBL31199233 0.65 ACHE (0.44) ACHEMETAP1MAOAMAOBELANE
SCHEMBL13417489 0.64 CYP19A1 (0.61) ACHEMAOBCYP19A1KDM4EHTT
SCHEMBL12240332 0.64 KDM4E (0.55) ACHEMETAP1MAOAMAOBELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed