SCHEMBL9756597

SCHEMBL9756597

CC(=O)Nc1ccc(CO)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
ESRRA P11474 2/20 0.50
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.48
IDO1 P14902 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.47
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL10619104 0.88 RORC (0.62) RORCSMN1; SMN2ESRRAPOLBL3MBTL1
SCHEMBL1906950 0.87 RORC (0.54) RORCSMN1; SMN2ESRRAPOLBL3MBTL1
SCHEMBL27916473 0.85 RORC (0.55) RORCSMN1; SMN2ESRRAPOLBL3MBTL1
SCHEMBL11622425 0.85 RORC (0.55) RORCSMN1; SMN2ESRRAPOLBL3MBTL1
SCHEMBL4515109 0.84 EPHX1 (0.47) SMN1; SMN2POLBMEN1MAPTKMT2A
SCHEMBL13183891 0.84 HTT (0.50) SMN1; SMN2POLBL3MBTL1ALDH1A1MEN1
SCHEMBL27820437 0.82 RORC (0.56) RORCSMN1; SMN2ESRRAPOLBL3MBTL1
SCHEMBL9110493 0.81 HTT (0.47) SMN1; SMN2POLBL3MBTL1ALDH1A1MEN1
SCHEMBL377420 0.81 ALDH1A1 (0.54) SMN1; SMN2POLBL3MBTL1ALDH1A1MEN1
SCHEMBL4548035 0.80 EPHX1 (0.70) RORCSMN1; SMN2POLBIDO1MEN1

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
WO-1991012000-A1 ANILINE DERIVATIVES OF α-STYRYL CARBINOLS AS ANTIFUNGAL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-22 WO disclosed