SCHEMBL7059072

SCHEMBL7059072

CCC(C)c1cc(C(C)(C)C)cc(-c2nc3ccccc3s2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.47
NOD1 Q9Y239 1/20 0.47
MAPT P10636 10/20 0.44
RAB9A P51151 8/20 0.44
KDM4E B2RXH2 7/20 0.44
NPC1 O15118 6/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
GLA P06280 3/20 0.42
GAA P10253 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
THRB P10828 2/20 0.42
POLB P06746 2/20 0.42
HSD17B10 Q99714 2/20 0.42
APP P05067 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2774898 0.80 TNF (0.55) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL22001880 0.77 KDM4E (0.56) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL27303604 0.76 TSHR (0.51) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL17693825 0.75 TNF (0.58) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL7059138 0.74 MAPT (0.64) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL34465504 0.74 MAPT (0.64) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL2184065 0.74 MAPT (0.47) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL17265013 0.73 MAPT (0.67) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL199728 0.72 RORC (0.58) ALDH1A1GAAHSD17B10ALOX15CYP1A2
SCHEMBL3287952 0.71 TSHR (0.39) RAB9ANPC1KMT2AMEN1CYP1A2

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-1423464-A1 PROPERTY ENHANCEMENT OF POLYAMIDES BY CO-CONDENSATION WITH LIGHTSTABILIZERS Clariant Finance (BVI) Limited (VG) 2004-06-02 EP disclosed
WO-2003014215-A1 PROPERTY ENHANCEMENT OF POLYAMIDES BY CO-CONDENSATION WITH LIGHTSTABILIZERS CLARIANT INTERNATIONAL LTD (CH) 2003-02-20 WO disclosed
EP-1230276-A1 PHOTOINITIATOR FORMULATIONS Ciba SC Holding AG (CH) 2002-08-14 EP disclosed
WO-2001029093-A1 PHOTOINITIATOR FORMULATIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-04-26 WO disclosed