SCHEMBL10899845

SCHEMBL10899845

CC1=C(C)CC2C(=O)N(c3cccc(Cl)c3)C(=O)C2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ TSHR P16473 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ HSD17B10 Q99714 2/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ MEN1 O00255 8/20 0.51
▸ KMT2A Q03164 8/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ GAA P10253 2/20 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
SCHEMBL10899850 0.84 KMT2A (0.65) ALDH1A1TSHRHSD17B10CASP1CASP7
SCHEMBL10904631 0.83 NPSR1 (0.47) ALDH1A1TSHRALOX15HSD17B10CASP1
SCHEMBL10904127 0.81 TSHR (0.50) MGLLALDH1A1TSHRALOX15HSD17B10
SCHEMBL10904126 0.81 TSHR (0.60) ALDH1A1TSHRALOX15HSD17B10MEN1
SCHEMBL10904272 0.80 MGLL (0.60) MGLLALDH1A1TSHRHSD17B10CASP1
SCHEMBL10902025 0.79 ALDH1A1 (0.53) ALDH1A1TSHRALOX15HSD17B10MEN1
SCHEMBL10905980 0.76 TSHR (0.52) ALDH1A1TSHRHSD17B10KMT2ALMNA
SCHEMBL10904294 0.74 ALDH1A1 (0.54) MGLLALDH1A1TSHRHSD17B10LMNA
SCHEMBL10904285 0.74 NPSR1 (0.68) ALDH1A1TSHRHSD17B10KMT2ALMNA
SCHEMBL17425973 0.73 ALDH1A1 (0.47) MGLLALDH1A1HSD17B10CASP1CASP7

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-4596826-A Anticonvulsants EISAI CO., LTD. (JP) 1986-06-24 — — US disclosed
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