SCHEMBL7706853

SCHEMBL7706853

CCCCC1CCC(CCCCN=C=O)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
NAAA Q02083 2/20 0.33
TLR4 O00206 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3794195 0.91
SCHEMBL3104151 0.89 CYP1A2 (0.41) CYP1A2TLR4
SCHEMBL10883546 0.85 ALOX5 (0.39) CYP1A2HTTNAAATP53PKM
SCHEMBL6430891 0.85 ALOX5 (0.39) CYP1A2HTTNAAATP53PKM
SCHEMBL628275 0.84 KEAP1 (0.33)
SCHEMBL29853780 0.83 SIGMAR1 (0.31)
SCHEMBL28618158 0.82 ALOX5 (0.34) CYP1A2HTTNAAATP53MEN1
Butylcyclohexane SCHEMBL28309098 0.81 CYP1A2 (0.60) CYP1A2HTTLMNAMAPK1NAAA
SCHEMBL7789791 0.81 KEAP1 (0.31)
SCHEMBL503215 0.78 KEAP1 (0.30) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171510-A1 CONDENSATION POLYMER CONTAINING DIALKYLAMIDE ENDGROUPS, PROCESS FOR PRODUCING SAID CONDENSATION POLYMERS AND APPLICATIONS THEREOF DSM N.V. (NL) 2002-01-16 EP disclosed
WO-2000058388-A1 CONDENSATION POLYMER CONTAINING DIALKYLAMIDE ENDGROUPS, PROCESS FOR PRODUCING SAID CONDENSATION POLYMERS AND APPLICATIONS THEREOF DSM N.V. (NL) 2000-10-05 WO disclosed
WO-2000034354-A1 TWO-COMPONENT COATING SYSTEM DSM N.V. (NL) 2000-06-15 WO disclosed
WO-1998055550-A1 POWDER-PAINT BINDER COMPOSITION DSM N.V. (NL) 1998-12-10 WO disclosed