SCHEMBL7536706

SCHEMBL7536706

CCOC(C)(C)CCCC(C)CCOc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.46
CHRNA4 P43681 6/20 0.46
KMT2A Q03164 1/20 0.41
GRM2 Q14416 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
FAAH O00519 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7540729 0.84 KMT2A (0.41) CHRNB2CHRNA4KMT2A
SCHEMBL11547888 0.81 POLB (0.41) KMT2ALMNA
SCHEMBL7536703 0.79 CHRNB2 (0.55) CHRNB2CHRNA4KMT2AGRM2CYP2C9
SCHEMBL11547255 0.79 MAPK1 (0.53) CYP2D6TSHR
SCHEMBL11546267 0.78 MEN1 (0.41) KMT2A
SCHEMBL11553217 0.78 LMNA (0.40) LMNA
SCHEMBL11553386 0.78 HRH3 (0.40) KMT2ALMNA
SCHEMBL11555226 0.77 L3MBTL1 (0.50) CYP2D6FAAHLMNA
SCHEMBL11716444 0.77 L3MBTL1 (0.36) CYP2C19CYP2D6LMNACYP1A2TSHR
SCHEMBL11552460 0.76 MEN1 (0.52) KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204320-A2 NOVEL JUVENILE HORMONE ANALOGUES AND THEIR USE AS ANTIFOULING AGENTS Bioparken AS (NO) 2002-05-15 EP claimed
WO-2001006853-A2 NOVEL JUVENILE HORMONE ANALOGUES AND THEIR USE AS ANTIFOULING AGENTS BIOPARKEN AS (NO) 2001-02-01 WO claimed
EP-1204413-A2 CONTROL OF CRUSTACEAN INFESTATION OF AQUATIC ANIMALS Bioparken AS (NO) 2002-05-15 EP disclosed
WO-2001007047-A2 CONTROL OF CRUSTACEAN INFESTATION OF AQUATIC ANIMALS BIOPARKEN AS (NO) 2001-02-01 WO disclosed