SCHEMBL19679936

SCHEMBL19679936

COC(=O)C(C)(C)CC(C)(CC(C)c1ccc(O)cc1)C(=O)OC1CCOC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
MAPK1 P28482 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL19679941 0.77
SCHEMBL19679943 0.77 ESR1 (0.35) MAPT
SCHEMBL19679940 0.75
SCHEMBL13899264 0.73 POLB (0.36) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14750834 0.73 ALDH1A1 (0.43) POLBMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL13656529 0.73 POLB (0.35) POLBALDH1A1HPGD
SCHEMBL19679942 0.73 CYP17A1 (0.40) KMT2A
SCHEMBL12230565 0.72 POLB (0.35) POLBCYP2C9HSD17B10
SCHEMBL14256808 0.72 POLB (0.35) POLBALDH1A1HPGD
SCHEMBL19679938 0.71 KMT2A (0.31) KMT2A

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