SCHEMBL11846829

SCHEMBL11846829

CCOC(=O)C(Cl)c1ccc(-c2ccccc2I)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MPI P34949 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL11837622 0.86 PPARG (0.45) MEN1KMT2AALDH1A1KDM4EMMP8
SCHEMBL11836185 0.84 GRM6 (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11841890 0.84 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11844271 0.84 MMP8 (0.38) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11849305 0.83 GRIA4 (0.46) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL11839973 0.83 MMP8 (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11836053 0.83 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11839187 0.82 PPARG (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11850461 0.82 PTGS2 (0.47) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11844401 0.81 GRIA2 (0.39) MEN1KMT2AALDH1A1KDM4EHPGD

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-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
Send feedback