SCHEMBL4360073

SCHEMBL4360073

O=C(O)C(Cc1ccc(Cl)cc1)C(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.68
PPARG P37231 8/20 0.50
PPARA Q07869 8/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL3355858 0.87 MDM2 (0.88) MDM2MEN1KMT2AMAPTL3MBTL1
SCHEMBL7037701 0.87 MDM2 (0.88) MDM2MEN1KMT2AMAPTL3MBTL1
SCHEMBL6712771 0.83 PPARG (0.59) PPARGPPARA
SCHEMBL10988389 0.83 MDM2 (0.53) MDM2PPARGPPARACES2CES1
Chlorobenzene SCHEMBL27609157 0.82 MDM2 (0.67) MDM2PPARGPPARACES2CES1
SCHEMBL3657476 0.81 SLC7A5 (0.53) MDM2PPARGPPARACES2CES1
SCHEMBL11307784 0.81 MDM2 (0.51) MDM2PPARGPPARACES2CES1
SCHEMBL11713368 0.81 MDM2 (1.00) MDM2CES2CES1KMT2AMAPT
Hydrochloric Acid SCHEMBL1249125 0.80 SLC7A5 (0.51) MDM2PPARGPPARACES2CES1
SCHEMBL5751703 0.79 MDM2 (0.62) MDM2PPARGPPARACES2CES1

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-2072510-A1 Crystalline form of azelastine ESTEVE QUIMICA, S.A. (ES) 2009-06-24 EP disclosed