SCHEMBL27823501

SCHEMBL27823501

CC(C)(C)C(=O)ON1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ GPR183 P32249 2/20 0.48
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL27730871 0.80 NAMPT (0.38) ALDH1A1LMNAHTT
SCHEMBL18702163 0.79 GPR183 (0.58) ALDH1A1GPR183MAPTLMNA
SCHEMBL710366 0.78 TGM2 (0.64) GPR183
SCHEMBL27859336 0.77 DRD2 (0.48) ALDH1A1GAAMAPTLMNASMN1; SMN2
SCHEMBL9344505 0.77 ALDH1A1 (0.65) ALDH1A1GPR183RAB9ALMNATSHR
SCHEMBL31315858 0.77 ALDH1A1 (0.65) ALDH1A1GPR183RAB9ALMNATSHR
SCHEMBL28144813 0.77 ATM (0.47) ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL6977155 0.75 TGM2 (0.62) GPR183
SCHEMBL14490210 0.74 TGM2 (0.59) ALDH1A1GPR183
SCHEMBL27981787 0.74 POLB (0.51) ALDH1A1GPR183MAPTLMNAHTT

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
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 — — CN disclosed
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