SCHEMBL8611954

SCHEMBL8611954

CC(C)(c1ccc(O)cc1)c1ccccc1N1C(=O)C=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.47
▸ ESR2 Q92731 4/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TLR9 Q9NR96 2/20 0.47
▸ MGLL Q99685 11/20 0.45
▸ AR P10275 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ ESRRG P62508 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HSP90AA1 P07900 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL663180 0.77 TLR9 (0.61) ALDH1A1TLR9MGLLTSHRHSP90AA1
SCHEMBL29463832 0.77 TLR9 (0.61) ALDH1A1TLR9MGLLTSHRHSP90AA1
SCHEMBL343839 0.76 ESR1 (0.71) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL9516982 0.76 MGLL (0.71) ESR1ESR2CYP3A4ALDH1A1MGLL
SCHEMBL21517638 0.72 ESR1 (0.59) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL3870977 0.71 MGLL (0.58) ALDH1A1TLR9MGLLTSHRHSP90AA1
SCHEMBL177979 0.71 ESR1 (0.63) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL29446724 0.71 ESR1 (0.63) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL3024282 0.71 ESR1 (0.63) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL29418983 0.71 ESR1 (0.46) ESR1ESR2CYP3A4ALDH1A1MGLL

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
JP-10158363-A — — None — — JP disclosed
JP-H10158363-A THERMOSETTING RESIN COMPOSITION AND PREPREG AND LAMINATED BOARD PRODUCED BY USING THE COMPOSITION MITSUI CHEM INC 1998-06-16 — — JP disclosed
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