SCHEMBL27685484

SCHEMBL27685484

Cc1ccc(C)c(-c2ccc(O)c(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
HSD17B1 P14061 4/20 0.43
HSD17B2 P37059 3/20 0.43
ESRRA P11474 1/20 0.43
MGLL Q99685 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPA1 O75762 1/20 0.42
IDO1 P14902 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL27909896 0.86 ABL1 (0.47) ESR1ESR2HSD17B1HSD17B2MGLL
SCHEMBL20136961 0.83 TP53 (0.61) TP53TDP1ESR1ESR2HSD17B1
SCHEMBL12012444 0.79 HSD17B1 (0.60) ESR1ESR2HSD17B1HSD17B2MGLL
SCHEMBL27704409 0.79 ESR2 (0.47) TP53TDP1ESR1ESR2HSD17B1
SCHEMBL27685537 0.79 TDP1 (0.45) TP53TDP1ESR1ESR2ESRRA
SCHEMBL27704422 0.79 RPS6KA3 (0.45) TP53TDP1ESRRAHPGDS1PR4
SCHEMBL12012440 0.79 HSD17B1 (0.51) ESR1ESR2HSD17B1HSD17B2MGLL
SCHEMBL130630 0.78
SCHEMBL13704109 0.78 ESR1 (0.50) ESR1ESR2HSD17B1HSD17B2MGLL
SCHEMBL6889137 0.77 ESR1 (0.48) ESR1ESR2HSD17B1HSD17B2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101001887-B Multi-branched polymer and method for producing same NIPPON SODA CO.,LTD. (JP) 2012-02-08 CN disclosed
CN-101593852-B Multibranched polymers and process for production thereof NIPPON SODA CO 2011-03-02 CN disclosed
CN-101593852-A Multibranched polymers and manufacture method thereof NIPPON SODA CO (JP) 2009-12-02 CN disclosed
CN-101001887-A Multi-branched polymer and method for producing same NIPPON SODA CO (JP) 2007-07-18 CN disclosed