SCHEMBL4647450

SCHEMBL4647450

CC1CCC(C(C)C)C(P(c2ccccc2)c2ccccc2)(P(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRNA7 P36544 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL337275 0.73 CCR2 (0.36) KCNA5MEN1KMT2A
SCHEMBL4648509 0.73
SCHEMBL12484267 0.71 NPSR1 (0.43) LMNACHRNA7MEN1KMT2A
SCHEMBL5244036 0.71 NPSR1 (0.43) LMNACHRNA7MEN1KMT2A
SCHEMBL11437597 0.70 CCR2 (0.34) KCNA5
SCHEMBL597190 0.69 CCR2 (0.33) KCNA5
SCHEMBL12786240 0.69 OPRM1 (0.32) LMNAALDH1A1MEN1KMT2A
SCHEMBL12786374 0.69 OPRM1 (0.32) LMNAALDH1A1MEN1KMT2A
SCHEMBL7799804 0.68 L3MBTL1 (0.42) KCNA5LMNAMEN1KMT2ANPC1
SCHEMBL4753780 0.67 CCR2 (0.35) KCNA5CA1CA2LMNAALDH1A1

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-1960787-A1 LUMINESCENT METALLIC CLUSTER PARTICLES AND USES THEREOF Kimberly-Clark Worldwide, Inc. (US) 2008-08-27 EP disclosed
WO-2007070115-A1 LUMINESCENT METALLIC CLUSTER PARTICLES AND USES THEREOF KIMBERLY-CLARK WORLDWIDE, INC. (US) 2007-06-21 WO disclosed
US-20070141727-A1 Luminescent metallic cluster particles and uses thereof KIMBERLY-CLARK WORLDWIDE, INC. 2007-06-21 US disclosed