SCHEMBL18549005

SCHEMBL18549005

CC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
HTT P42858 3/20 0.67
GAA P10253 2/20 0.67
THRB P10828 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
LMNA P02545 3/20 0.64
KMT2A Q03164 8/20 0.58
MEN1 O00255 7/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 5/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.57
POLB P06746 1/20 0.57
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL27625364 0.83 LMNA (0.66) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL2072200 0.82 ALDH1A1 (0.64) ALDH1A1HTTL3MBTL1LMNAKMT2A
SCHEMBL7013152 0.82 ALDH1A1 (0.76) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL3207417 0.82 LMNA (0.64) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL29979179 0.82 LMNA (0.64) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL6790086 0.81 KMT2A (0.72) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL23412472 0.80 POLB (0.65) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL18548983 0.80 POLB (0.65) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL29846090 0.80 POLB (0.65) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL3124112 0.80 ALDH1A1 (0.66) ALDH1A1HTTGAATHRBL3MBTL1

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-11149165-B2 Coatings with molecular flexibility for ice adhesion mitigation UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA (US) 2021-10-19 US disclosed
US-10377916-B2 Coatings with molecular flexibility for ice adhesion mitigation UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA (US) 2019-08-13 US disclosed
WO-2017040797-A1 COATINGS WITH MOLECULAR FLEXIBILITY FOR ICE ADHESION MITIGATION UNITED STATES OF AMERICAN as represented by THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2017-03-09 WO disclosed
US-20170058168-A1 Coatings with Molecular Flexibility for Ice Adhesion Mitigation U.S.A AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2017-03-02 US disclosed