SCHEMBL8076539

SCHEMBL8076539

CCCCCCCCCCCCCCCCOC(=O)[N]c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
LMNA P02545 4/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 2/20 0.54
TP53 P04637 2/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PPARG P37231 3/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR2 P34972 1/20 0.46
MAPT P10636 2/20 0.45
NAAA Q02083 1/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44

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
SCHEMBL9847717 1.00 TSHR (0.57) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL4181653 0.93 TSHR (0.54) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL15843637 0.77 TSHR (0.53) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL15843808 0.77 ALDH1A1 (0.57) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL15843504 0.77 TSHR (0.53) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL15843518 0.77 ALDH1A1 (0.57) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL15843519 0.77 ALDH1A1 (0.57) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL15843503 0.77 TSHR (0.53) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL15843638 0.77 TSHR (0.53) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL15864795 0.77 ALDH1A1 (0.57) TSHRLMNAALDH1A1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1048978-A1 Color paper with exceptional reciprocity performance EASTMAN KODAK COMPANY (US) 2000-11-02 EP disclosed