SCHEMBL11842972

SCHEMBL11842972

CCOC(=O)C(Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ RAB9A P51151 3/20 0.50
▸ GAA P10253 3/20 0.50
▸ AR P10275 5/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PRKCZ Q05513 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ HRH1 P35367 1/20 0.45

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
SCHEMBL13009600 0.85 MAPT (0.53) MAPTLMNAKDM4ERAB9AGAA
SCHEMBL11842785 0.84 MAPT (0.52) MAPTLMNAKDM4ERAB9AGAA
SCHEMBL11847293 0.82 MEN1 (0.43) MAPTLMNAKDM4EGAAL3MBTL1
SCHEMBL11838414 0.80 MAPT (0.51) MAPTLMNARAB9AGAAPRKCZ
SCHEMBL10771702 0.80 MAPT (0.57) MAPTLMNAKDM4EGAAAR
SCHEMBL11850461 0.80 PTGS2 (0.47) MAPTLMNAKDM4ERAB9AGAA
SCHEMBL4279296 0.80 MAPT (0.57) MAPTLMNAKDM4EGAAAR
SCHEMBL11851821 0.80 CA12 (0.47) MAPTLMNAKDM4EGAAAR
SCHEMBL8805132 0.80 SLC6A3 (0.50) MAPTLMNAKDM4EGAAALDH1A1
SCHEMBL11845170 0.80 HRH2 (0.49) MAPTLMNAKDM4ERAB9AGAA

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
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