SCHEMBL5293126

SCHEMBL5293126

CCCCC[n+]1ccn(C)c1CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 4/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
RGS12 O14924 1/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL5295457 0.98 CA1 (0.49) CA1CA2MEN1KMT2ATP53
SCHEMBL5294408 0.98 CA1 (0.49) CA1CA2MEN1KMT2ATP53
SCHEMBL5811052 0.98 CA1 (0.49) CA1CA2MEN1KMT2ATP53
SCHEMBL5292613 0.98 CA1 (0.49) CA1CA2MEN1KMT2ATP53
SCHEMBL5296794 0.98 CA1 (0.49) CA1CA2MEN1KMT2ATP53
SCHEMBL5282779 0.98 CA1 (0.49) CA1CA2MEN1KMT2ATP53
SCHEMBL5289748 0.98 CA1 (0.49) CA1CA2MEN1KMT2ATP53
SCHEMBL5290920 0.98 CA1 (0.49) CA1CA2MEN1KMT2ATP53
SCHEMBL5289533 0.98 CA1 (0.49) CA1CA2MEN1KMT2ATP53
SCHEMBL5812571 0.98 CA1 (0.49) CA1CA2MEN1KMT2ATP53

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