SCHEMBL11844624

SCHEMBL11844624

CCOC(=O)CC(Cl)Cc1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.46
▸ CDC7 O00311 1/20 0.42
▸ DBF4 Q9UBU7 1/20 0.42
▸ MAOB P27338 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ RUNX1 Q01196 1/20 0.39
▸ CBFB Q13951 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39

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
SCHEMBL11823414 0.85 SRR (0.49) MMEALDH1A1LMNAMMEL1TSHR
SCHEMBL11830085 0.85 CSNK2A1 (0.45) ALDH1A1SMN1; SMN2KDM4EMMEL1L3MBTL1
SCHEMBL11835523 0.83 TSHR (0.45) MMEALDH1A1MAPTKDM4EHPGD
SCHEMBL11828776 0.82 HRH2 (0.46) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL11827580 0.81 ALDH1A1 (0.43) MMECDC7DBF4MAOBALDH1A1
SCHEMBL11828626 0.81 MME (0.62) MMEMAOBMMEL1
SCHEMBL11839428 0.81 MAPT (0.49) CDC7DBF4MAOBALDH1A1SMN1; SMN2
SCHEMBL11828428 0.80 MME (0.44) MMECDC7DBF4MAOBALDH1A1
SCHEMBL11833487 0.80 MME (0.44) MMECDC7DBF4MAOBALDH1A1
SCHEMBL11837141 0.79 ALDH1A1 (0.43) MMECDC7DBF4ALDH1A1SMN1; SMN2

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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