SCHEMBL9680846

SCHEMBL9680846

CCc1cc(CO)c(OCc2ccccc2)nc1COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
PDE5A O76074 1/20 0.37
KDM4E B2RXH2 3/20 0.37
SQOR Q9Y6N5 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PPARG P37231 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9449173 0.81 ALDH1A1 (0.44) L3MBTL1TSHRALDH1A1LMNAMAPK1
SCHEMBL9449258 0.80 CNR1 (0.47) L3MBTL1TSHRSQORPPARGGHSR
SCHEMBL9846076 0.72 MAPT (0.44) LMNAHTTKDM4ENPC1TP53
SCHEMBL15814133 0.71 TSHR (0.45) L3MBTL1TSHRALDH1A1LMNAMAPK1
SCHEMBL4510054 0.70 L3MBTL1 (0.47) L3MBTL1ALDH1A1MAPK1HTTKDM4E
SCHEMBL15584082 0.69 PPARG (0.49) L3MBTL1TSHRALDH1A1LMNAMAPK1
SCHEMBL16616128 0.69 MCL1 (0.50) L3MBTL1TSHRPPARG
Alcohol SCHEMBL9721767 0.68 TSHR (0.75) L3MBTL1TSHRALDH1A1LMNAMAPK1
SCHEMBL31230219 0.68 L3MBTL1 (0.46) L3MBTL1TSHRALDH1A1LMNAMAPK1
SCHEMBL2674878 0.68 L3MBTL1 (0.50) L3MBTL1TSHRALDH1A1LMNAMAPK1

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
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed