SCHEMBL6891600

SCHEMBL6891600

CCC(C)NC1CCC(NC(C)CC)CC1.CCC(C)NC1CCCCC1NC(C)CC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SHBG P04278 1/20 0.37
SLC6A4 P31645 2/20 0.35
GAA P10253 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 2/20 0.32
ADRB2 P07550 1/20 0.30

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
SCHEMBL20061126 0.91 KDM4E (0.45) EPHX1KDM4ESHBGGAACYP2C9
SCHEMBL48473 0.91 KDM4E (0.45) EPHX1KDM4ESHBGGAACYP2C9
SCHEMBL20061141 0.91 KDM4E (0.45) EPHX1KDM4ESHBGGAACYP2C9
SCHEMBL172339 0.87 EPHX1 (0.50) EPHX1KDM4ESHBGSLC6A4GAA
SCHEMBL172729 0.87 EPHX1 (0.50) EPHX1KDM4ESHBGSLC6A4GAA
SCHEMBL16937601 0.87 EPHX1 (0.50) EPHX1KDM4ESHBGSLC6A4GAA
SCHEMBL6179650 0.87
SCHEMBL48559 0.87 SLC6A4 (0.41) EPHX1KDM4ESHBGSLC6A4GAA
SCHEMBL14605831 0.85 EPHX1 (0.53) EPHX1KDM4ESHBGGAACYP2C9
SCHEMBL17821888 0.85 EPHX1 (0.48) EPHX1KDM4ESHBGSLC6A4GAA

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
US-6794429-B2 Golf ball compositions comprising metallized lipid-based nanotubules ACUSHNET COMPANY 2004-09-21 US disclosed