SCHEMBL11829173

SCHEMBL11829173

CCOC(=O)CC(Cl)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.46
▸ AR P10275 3/20 0.44
▸ KCNJ1 P48048 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PRKCZ Q05513 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42

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 0.83 SRR (0.49) LMNAALDH1A1GAA
SCHEMBL11835523 0.83 TSHR (0.45) MAPTLMNAKDM4ERAB9AALDH1A1
SCHEMBL11828776 0.82 HRH2 (0.46) MAPTLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL5829506 0.82 MAPT (0.56) MAPTLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL12018103 0.81 MAPT (0.55) MAPTLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL11394378 0.80 MAPT (0.54) MAPTLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL10747515 0.78 MAPT (0.52) MAPTLMNAKDM4ERAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10521304 0.77 MAPT (0.51) MAPTLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL11829788 0.76 PDCD1 (0.40) KDM4EALDH1A1
SCHEMBL11829659 0.76 MAPT (0.48) MAPTLMNAKDM4ERAB9ASMN1; 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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