SCHEMBL28017359

SCHEMBL28017359

CC(C)c1cc([N+](=O)[O-])cc(C(C)C)c1C=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HTT P42858 3/20 0.40
POLB P06746 1/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
ERN1 O75460 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
G6PD P11413 1/20 0.37
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
GALR3 O60755 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL14369940 0.78 TSHR (0.52) TSHRHTTPOLBCYP19A1ALDH1A1
SCHEMBL9164494 0.77 TSHR (0.38) TSHRHTTPOLBCYP19A1ALDH1A1
SCHEMBL28132695 0.77 TSHR (0.38) TSHRHTTPOLBCYP19A1ALDH1A1
SCHEMBL7928377 0.76 TSHR (0.45) TSHRHTTPOLBCYP19A1ALDH1A1
SCHEMBL6978784 0.76 MEN1 (0.55) TSHRHTTCYP19A1ALDH1A1HPGD
SCHEMBL3607570 0.76 HTT (0.52) TSHRHTTPOLBCYP19A1ALDH1A1
SCHEMBL7310925 0.74 TSHR (0.52) TSHRHTTPOLBCYP19A1ALDH1A1
SCHEMBL12030880 0.73 ALB (0.43) HTTPOLBALDH1A1HPGDNPSR1
SCHEMBL2590567 0.73 FABP4 (0.52) HTTPOLBALDH1A1HPGDNPSR1
SCHEMBL11526155 0.72 ALDH1A1 (0.51) TSHRHTTALDH1A1HPGDNPSR1

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
CN-104649867-A Preparation method of propofol LIAONING YAOLIAN PHARMACEUTICAL CO LTD 2015-05-27 CN disclosed