SCHEMBL9769854

SCHEMBL9769854

CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c2cc(O)c(C(=O)O)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MPL P40238 3/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 3/20 0.39
ESR1 P03372 1/20 0.39
CYP3A4 P08684 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 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
SCHEMBL8356252 0.80 GRIN2D (0.46) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL7712882 0.79 ESR1 (0.46) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL11757570 0.78 ALDH1A1 (0.43) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL9498812 0.78 ESR1 (0.45) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL1129729 0.77 ESR1 (0.46) KDM4EMEN1KMT2AHSD17B10CNR1
SCHEMBL7084776 0.76 ESR1 (0.44) KDM4EMEN1KMT2AHSD17B10CNR1
Water SCHEMBL9852464 0.76 ESR1 (0.44) KDM4EMEN1KMT2AHSD17B10CNR1
SCHEMBL1129610 0.76 ALDH1A1 (0.50) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL9615386 0.76 NR5A2 (0.48) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL9450712 0.75 ALDH1A1 (0.50) KDM4EMEN1KMT2APOLBCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed
US-4134847-A HOMOGENIZING AN AROMATIC CARBOXYLIC ACID-POLYMER-METAL CARBONATE OR OXIDE MELT KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1979-01-16 US disclosed
US-4046941-A PRESSURE SENSITIVE COPYING SANKO CHEMICAL COMPANY LTD. (JA) 1977-09-06 US disclosed