SCHEMBL17280573

SCHEMBL17280573

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.53
ADRB1 P08588 3/20 0.53
ADRB3 P13945 3/20 0.53
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.44
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
AKR1C1 Q04828 1/20 0.44
PTGS1 P23219 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL17280571 0.92 ADRB2 (0.55) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL17280579 0.90 ADRB2 (0.53) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL12999567 0.90 ADRB2 (0.53) ADRB2ADRB1ADRB3MAPTLMNA
SCHEMBL17280572 0.82 ADRB2 (0.60) ADRB2ADRB1ADRB3
SCHEMBL18237262 0.81 ADRB2 (0.46) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL12253455 0.80 TP53 (0.49) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL5402453 0.79 ADRB2 (0.59) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL17280580 0.79 CYP2D6 (0.49) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL7988568 0.79 GAA (0.54) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL20328406 0.78 ADRB2 (0.49) ADRB2ADRB1ADRB3ALDH1A1MAPT

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