SCHEMBL9595246

SCHEMBL9595246

CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.67
▸ TP53 P04637 3/20 0.67
▸ LMNA P02545 1/20 0.67
▸ THRB P10828 1/20 0.67
▸ TACR1 P25103 7/20 0.63
▸ MMP2 P08253 1/20 0.59
▸ MMP3 P08254 1/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ HCRTR1 O43613 1/20 0.58
▸ P2RY14 Q15391 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ POLB P06746 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL8744739 1.00 MAPT (0.67) MAPTTP53LMNATHRBTACR1
SCHEMBL8744719 0.89 P2RY14 (0.68) MAPTTP53TACR1MEN1KMT2A
SCHEMBL8744722 0.89 P2RY14 (0.68) MAPTTP53TACR1MEN1KMT2A
SCHEMBL8744700 0.87 MAPT (0.71) MAPTTP53LMNATHRBTACR1
SCHEMBL9595504 0.87 MAPT (0.71) MAPTTP53LMNATHRBTACR1
SCHEMBL22206817 0.86 MAPT (0.70) MAPTTP53LMNATHRBTACR1
SCHEMBL22206815 0.86 MAPT (0.70) MAPTTP53LMNATHRBTACR1
SCHEMBL30592150 0.86 MAPT (0.70) MAPTTP53LMNATHRBTACR1
SCHEMBL850315 0.83 TACR1 (0.74) MAPTTP53LMNATHRBTACR1
SCHEMBL3185689 0.83 TACR1 (0.74) MAPTTP53LMNATHRBTACR1

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-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 — — US disclosed
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