SCHEMBL9996173

SCHEMBL9996173

CCCCCCCCCCCCOC(=O)c1ccsc1Br

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TSHR P16473 3/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 2/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
ESR1 P03372 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL15854184 0.94 TSHR (0.58) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL28320083 0.92 ALDH1A1 (0.52) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL28318971 0.90 ALDH1A1 (0.49) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL10490515 0.84 ALDH1A1 (0.62) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL29287102 0.82 PRSS1 (0.59) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL1460094 0.81 PRSS1 (0.57) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL28197556 0.81 ALDH1A1 (0.59) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL1513079 0.81 TSHR (0.53) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2145329 0.80 TSHR (0.57) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL28807508 0.78 TSHR (0.55) ALDH1A1TSHRLMNAMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8728720-B2 Arbitrary pattern direct nanostructure fabrication methods and system THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-20 US disclosed
US-8728720-B2 Arbitrary pattern direct nanostructure fabrication methods and system THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-20 US disclosed
US-8728720-B2 Arbitrary pattern direct nanostructure fabrication methods and system THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-20 US disclosed
US-20110318695-A1 ARBITRARY PATTERN DIRECT NANOSTRUCTURE FABRICATION METHODS AND SYSTEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-12-29 US disclosed
US-20110318695-A1 ARBITRARY PATTERN DIRECT NANOSTRUCTURE FABRICATION METHODS AND SYSTEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-12-29 US disclosed