SCHEMBL17280579

SCHEMBL17280579

CCC(O)COC(=O)c1ccc(C(=O)OCC(O)COc2ccc3cc(C(=O)OC)ccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.53
ADRB1 P08588 5/20 0.53
ADRB3 P13945 5/20 0.53
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 5/20 0.45
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL12999567 0.93 ADRB2 (0.53) ADRB2ADRB1ADRB3LMNAMAPT
SCHEMBL17280572 0.93 ADRB2 (0.60) ADRB2ADRB1ADRB3
SCHEMBL17280573 0.90 ADRB2 (0.53) ADRB2ADRB1ADRB3TSHRLMNA
SCHEMBL17280580 0.88 CYP2D6 (0.49) ADRB2ADRB1ADRB3GAATSHR
SCHEMBL17280571 0.88 ADRB2 (0.55) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL12253455 0.85 TP53 (0.49) ADRB2ADRB1ADRB3GAATSHR
SCHEMBL16687849 0.83 ADRB2 (0.57) ADRB2ADRB1ADRB3MAPT
SCHEMBL17280574 0.82 CYP2D6 (0.53) ADRB2ADRB1ADRB3GAATSHR
SCHEMBL26326225 0.82 LMNA (0.47) ADRB2ADRB1ADRB3GAATSHR
SCHEMBL1587023 0.82 LMNA (0.54) GAATSHRLMNAALDH1A1MAPT

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
US-9534140-B2 Resist underlayer film-forming composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-03 US disclosed
US-20150337164-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-26 US disclosed