SCHEMBL11120650

SCHEMBL11120650

O=C(Cc1ccc(-c2ccccc2Cl)cc1)OCC(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ GRM5 P41594 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
Hydrochloric Acid SCHEMBL10979991 0.99 GFER (0.56) GFERATMALDH1A1MAPTGRM5
SCHEMBL10983798 0.89 MAPT (0.57) GFERATMALDH1A1MAPTGRM5
SCHEMBL10980222 0.82 ALDH1A1 (0.50) ALDH1A1MAPTGRM5L3MBTL1LMNA
SCHEMBL11839428 0.73 MAPT (0.49) ALDH1A1MAPTL3MBTL1
SCHEMBL6706289 0.71 ME2 (0.82) GFERATMALDH1A1MAPTGRM5
SCHEMBL19068065 0.70 CYP4F2 (0.54) ALDH1A1
SCHEMBL4211652 0.70 GAA (0.63) GFERALDH1A1LMNA
SCHEMBL19442006 0.69 ALDH1A1 (0.69) ALDH1A1MAPTGRM5L3MBTL1LMNA
Bifeprofen SCHEMBL2109705 0.69 L3MBTL1 (0.44) ATMALDH1A1L3MBTL1POLB
SCHEMBL6283959 0.69 GRM5 (0.67) ALDH1A1MAPTGRM5L3MBTL1LMNA

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
EP-0077720-B1 BIPHENYL ALKYL CARBOXYLATED DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES PIERRE FABRE S.A. (FR) 1984-07-25 — — EP claimed
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