SCHEMBL7536703

SCHEMBL7536703

CC(C)CCCC(C)CCOc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.55
CHRNA4 P43681 6/20 0.55
GRM2 Q14416 2/20 0.45
FDPS P14324 2/20 0.43
GGPS1 O95749 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.41

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
SCHEMBL11894508 0.88 CHRNB2 (0.64) CHRNB2CHRNA4GRM2
SCHEMBL6253287 0.82 CHRNB2 (0.57) CHRNB2CHRNA4GRM2CYP3A4CYP2D6
SCHEMBL4762110 0.81 KCNA3 (0.52) FDPSGGPS1ALOX5
SCHEMBL7536898 0.81 KCNA3 (0.52) FDPSGGPS1ALOX5
SCHEMBL7543086 0.81 TDP1 (0.42) CHRNB2CHRNA4FDPSGGPS1KMT2A
SCHEMBL7543027 0.81 TDP1 (0.42) CHRNB2CHRNA4FDPSGGPS1KMT2A
SCHEMBL7536706 0.79 CHRNB2 (0.46) CHRNB2CHRNA4GRM2CYP3A4CYP2D6
SCHEMBL16340342 0.79 TDP1 (0.58) FDPSGGPS1KMT2AALOX5
SCHEMBL6857008 0.79 TDP1 (0.58) FDPSGGPS1KMT2AALOX5
SCHEMBL6252570 0.78 CHRNB2 (0.63) CHRNB2CHRNA4GRM2KMT2A

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 6 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-1204320-A2 NOVEL JUVENILE HORMONE ANALOGUES AND THEIR USE AS ANTIFOULING AGENTS Bioparken AS (NO) 2002-05-15 EP disclosed
EP-1204413-A2 CONTROL OF CRUSTACEAN INFESTATION OF AQUATIC ANIMALS Bioparken AS (NO) 2002-05-15 EP disclosed
WO-2001006853-A2 NOVEL JUVENILE HORMONE ANALOGUES AND THEIR USE AS ANTIFOULING AGENTS BIOPARKEN AS (NO) 2001-02-01 WO disclosed
WO-2001007047-A2 CONTROL OF CRUSTACEAN INFESTATION OF AQUATIC ANIMALS BIOPARKEN AS (NO) 2001-02-01 WO disclosed