SCHEMBL16601879

SCHEMBL16601879

CCCCCCCCCCc1cc(CCCCCCCCCC)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.71
LIPG Q9Y5X9 6/20 0.71
PTGS2 P35354 4/20 0.44
CYP3A4 P08684 2/20 0.42
GPR84 Q9NQS5 2/20 0.41
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.37
HSPD1 P10809 1/20 0.37
ADRB3 P13945 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL15132542 1.00 LPL (0.71) LPLLIPGPTGS2CYP3A4GPR84
SCHEMBL29400355 0.97 LPL (0.71) LPLLIPGPTGS2CYP3A4GPR84
SCHEMBL22005177 0.93 LIPG (0.65) LPLLIPGPTGS2CYP3A4GPR84
SCHEMBL12620510 0.91 LPL (0.64) LPLLIPGPTGS2CYP3A4GPR84
SCHEMBL10071636 0.90 LIPG (0.65) LPLLIPGPTGS2CYP3A4
SCHEMBL31442702 0.90 LPL (0.62) LPLLIPGPTGS2CYP3A4ESR1
SCHEMBL31442588 0.86 LPL (0.58) LPLLIPG
SCHEMBL31442550 0.86 LPL (0.58) LPLLIPG
SCHEMBL15424095 0.86 LIPG (0.58) LPLLIPGPTGS2CYP3A4GPR84
SCHEMBL31442580 0.86 LPL (0.58) LPLLIPG

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
US-9082983-B1 Solution processable thin-film transistors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-07-14 US disclosed
US-9082983-B1 Solution processable thin-film transistors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-07-14 US disclosed
US-8993713-B1 Solution processable n-type ladder polymer for hetero-junction devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-03-31 US disclosed
US-8993713-B1 Solution processable n-type ladder polymer for hetero-junction devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-03-31 US disclosed