SCHEMBL5291000

SCHEMBL5291000

CCCCc1ccc[n+](C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.40
CA2 P00918 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
CA1 P00915 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL5811446 0.95 GGPS1 (0.45) GGPS1CA2TDP1L3MBTL1LPL
SCHEMBL5288522 0.93 GGPS1 (0.47) GGPS1TDP1L3MBTL1LPLLIPG
SCHEMBL5287642 0.93 GGPS1 (0.47) GGPS1TDP1L3MBTL1LPLLIPG
SCHEMBL5307117 0.93 GGPS1 (0.47) GGPS1TDP1L3MBTL1LPLLIPG
SCHEMBL5297603 0.93 GGPS1 (0.47) GGPS1TDP1L3MBTL1LPLLIPG
SCHEMBL5285547 0.93 GGPS1 (0.47) GGPS1TDP1L3MBTL1LPLLIPG
SCHEMBL5287386 0.93 GGPS1 (0.47) GGPS1TDP1L3MBTL1LPLLIPG
SCHEMBL5304932 0.93 GGPS1 (0.47) GGPS1TDP1L3MBTL1LPLLIPG
SCHEMBL5290442 0.93 GGPS1 (0.47) GGPS1TDP1L3MBTL1LPLLIPG
SCHEMBL5299451 0.93 GGPS1 (0.47) GGPS1TDP1L3MBTL1LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed