SCHEMBL9874802

SCHEMBL9874802

Cc1cc(C)c(C(=O)C(OP=O)c2ccccc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 2/20 0.39
PPARA Q07869 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7183312 0.81 LMNA (0.38) LMNAGAAHTTALDH1A1NPSR1
SCHEMBL7189152 0.77 NPSR1 (0.37) LMNAGAAHTTALDH1A1NPSR1
SCHEMBL27500586 0.77 ALDH1A1 (0.41) LMNAGAAHTTALDH1A1NPSR1
SCHEMBL16553062 0.76 SLC6A2 (0.38) LMNAGAAHTTALDH1A1L3MBTL1
SCHEMBL225075 0.76 SLC6A2 (0.38) LMNAALDH1A1NPSR1PPARAL3MBTL1
SCHEMBL14781389 0.76 SRC (0.47) LMNAGAAHTTALDH1A1NPSR1
SCHEMBL18823101 0.76 L3MBTL1 (0.52) LMNAGAAHTTALDH1A1NPSR1
SCHEMBL6374840 0.74 HPGD (0.38) LMNAALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL5999762 0.74 LMNA (0.53) LMNAGAAHTTALDH1A1NPSR1
SCHEMBL20193588 0.74 SLC6A2 (0.40) LMNAGAAHTTALDH1A1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985472-A ACRYLATED POLYISOCYANATE MITSUBISHI RAYON COMPANY, LTD. (JP) 1991-01-15 US disclosed
EP-0313665-A1 ACTINIC RADIATION-CURABLE COMPOSITION FOR CAST POLYMERIZATION AND PRODUCT OF CAST POLYMERIZATION MITSUBISHI RAYON CO., LTD. (JP) 1989-05-03 EP disclosed