SCHEMBL9446451

SCHEMBL9446451

CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccccc3F)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.60
RARG P13631 5/20 0.60
RARB P10826 4/20 0.60
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
TDP1 Q9NUW8 1/20 0.59
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
CYP26A1 O43174 3/20 0.59
TP53 P04637 2/20 0.59
CYP3A4 P08684 2/20 0.59
MAPT P10636 2/20 0.59
NFKB1 P19838 1/20 0.59
HTT P42858 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
PGR P06401 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
TBXA2R P21731 1/20 0.59

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
SCHEMBL8461601 0.81 CYP26A1 (0.82) RARARARGRARBMEN1KMT2A
SCHEMBL8461304 0.78 RARA (0.78) RARARARGRARBMEN1KMT2A
SCHEMBL446436 0.78 MAPT (0.55) RARARARGRARBMEN1KMT2A
SCHEMBL7152370 0.78 RARB (0.91) RARARARGRARBMEN1KMT2A
SCHEMBL7155758 0.77 RARA (0.80) RARARARGRARBMEN1KMT2A
SCHEMBL15655870 0.76 RARG (0.59) RARARARGRARBMEN1KMT2A
SCHEMBL3935697 0.75 RARB (0.64) RARARARGRARBMEN1KMT2A
SCHEMBL32685293 0.75 RARB (0.68) RARARARGRARBMEN1KMT2A
SCHEMBL12715266 0.75 CYP26A1 (0.67) RARARARGRARBMEN1KMT2A
SCHEMBL30590581 0.75 RARA (1.00) RARARARGRARBMEN1KMT2A

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
US-5216153-A Therapy and prophylaxis for skin, autoimmune and rheumatic diseases HOFFMANN-LA ROCHE INC. (US) 1993-06-01 US claimed