SCHEMBL5285062

SCHEMBL5285062

CCCc1ccc[n+](C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.35
GGPS1 O95749 2/20 0.33
TP53 P04637 1/20 0.33
CA2 P00918 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
MGLL Q99685 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL5291000 0.89 GGPS1 (0.40) SIGMAR1GGPS1CA2GPR84LPL
SCHEMBL5811446 0.87 GGPS1 (0.45) GGPS1TP53CA2LPLLIPG
SCHEMBL5288522 0.86 GGPS1 (0.47) GGPS1TP53LPLLIPG
SCHEMBL5299451 0.86 GGPS1 (0.47) GGPS1TP53LPLLIPG
SCHEMBL5307117 0.86 GGPS1 (0.47) GGPS1TP53LPLLIPG
SCHEMBL5287642 0.86 GGPS1 (0.47) GGPS1TP53LPLLIPG
SCHEMBL5290442 0.86 GGPS1 (0.47) GGPS1TP53LPLLIPG
SCHEMBL5287386 0.86 GGPS1 (0.47) GGPS1TP53LPLLIPG
SCHEMBL5304932 0.86 GGPS1 (0.47) GGPS1TP53LPLLIPG
SCHEMBL5285547 0.86 GGPS1 (0.47) GGPS1TP53LPLLIPG

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