SCHEMBL5953676

SCHEMBL5953676

Cc1cc(C)c(-c2ccc(C(C)(C)C)cc2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
KIF11 P52732 3/20 0.43
HSD17B2 P37059 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 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
SCHEMBL16769413 0.89 NPC1 (0.51) TSHRKIF11RXRARXRBLMNA
SCHEMBL16769427 0.83 NPC1 (0.46) TSHRKIF11RXRARXRBLMNA
SCHEMBL16769414 0.83 NPC1 (0.46) TSHRKIF11RXRARXRBLMNA
SCHEMBL1765225 0.83 LMNA (0.52) TSHRKIF11LMNATYRALDH1A1
SCHEMBL2652273 0.83 TSHR (0.43) TSHRKIF11RXRBLMNATYR
SCHEMBL16769425 0.83 NPC1 (0.44) TSHRRXRARXRBLMNANPC1
SCHEMBL6382158 0.81 ALDH1A1 (0.40) TSHRRXRARXRBALDH1A1TP53
SCHEMBL1133428 0.81 MAPT (0.48) KIF11MAPT
SCHEMBL30083766 0.80 POLB (0.43) TSHRRXRARXRBTYRCNR2
SCHEMBL5608923 0.80 TSHR (0.48) TSHRKIF11LMNATYRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7147938-B2 Organic element for electroluminescent devices EASTMAN KODAK COMPANY (US) 2006-12-12 US disclosed
US-20060003183-A1 Light emitting diodes with light emitting layers containing a stilbene derivative and a boron complex having an absorption spectrum that overlaps with the emission spectrum of the stilbene derivative; improved brightness EASTMAN KODAK COMPANY 2006-01-05 US disclosed
US-5998629-A ELIMINATION-ADDITION REACTION WITH AN AROMATIC AMINE EASTMAN KODAK COMPANY (US) 1999-12-07 US disclosed