SCHEMBL27520453

SCHEMBL27520453

CC=C(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.63
NR4A2 P43354 1/20 0.63
NR4A3 Q92570 1/20 0.63
PTGS1 P23219 4/20 0.59
PTGS2 P35354 2/20 0.59
NQO2 P16083 1/20 0.59
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
SRD5A2 P31213 1/20 0.45
GSK3B P49841 2/20 0.44
PTPN1 P18031 1/20 0.44
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
KIF11 P52732 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL14476277 1.00 NR4A1 (0.63) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL9114812 0.83 NR4A1 (0.59) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL9114816 0.83 NR4A1 (0.59) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL11414658 0.80 ESR1 (0.46) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL11414654 0.80 ESR1 (0.46) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL9610720 0.79 NR4A1 (0.77) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL7804956 0.79 NR4A1 (0.61) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL7799695 0.79 NR4A1 (0.61) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL14604995 0.79 NR4A1 (0.56) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL8731898 0.79 CES2 (0.54) NR4A1NR4A2NR4A3PTGS1PTGS2

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-1273579-A Anthranilic acid analogs AMERICAN HOME PROD (US) 2000-11-15 CN disclosed