SCHEMBL19679943

SCHEMBL19679943

COC(=O)C(C)(C)CC(C)(CC(C)c1ccc(O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
DGAT1 O75907 1/20 0.34
MIF P14174 2/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MAPT P10636 1/20 0.31
EGFR P00533 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL12578602 0.83 ESR1 (0.39) ESR1ESR2MIFCTSSCTSK
SCHEMBL15613863 0.80 ESR1 (0.41) ESR1ESR2MIFMAPTCA12
SCHEMBL19679942 0.78 CYP17A1 (0.40)
SCHEMBL19679940 0.77
SCHEMBL19679936 0.77 POLB (0.44) MAPT
SCHEMBL19679938 0.77 KMT2A (0.31)
SCHEMBL19679939 0.77 ESR1 (0.37) ESR1ESR2MIFCTSSCTSK
SCHEMBL14062410 0.76 ELANE (0.38) ESR1ESR2MIFMAPTADRB2
SCHEMBL19679937 0.75 MDH1 (0.35)
SCHEMBL15979584 0.74 ESR1 (0.40) ESR1ESR2CTSKMAPT

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-20170351178-A1 COMPOSITION FOR FORMING ORGANIC ANTI-REFLECTIVE COATING LAYER SUITABLE FOR NEGATIVE TONE DEVELOPMENT DONGJIN SEMICHEM CO., LTD. (KR) 2017-12-07 US disclosed