SCHEMBL17280571

SCHEMBL17280571

CCC(O)COC(=O)c1ccc(C(=O)OCC(O)COC(=O)c2ccc3cc(OC)ccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.55
ADRB1 P08588 11/20 0.55
ADRB3 P13945 11/20 0.55
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
AKR1C1 Q04828 1/20 0.46
PTGS1 P23219 1/20 0.46
MAPT P10636 1/20 0.43

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
SCHEMBL17280573 0.92 ADRB2 (0.53) ADRB2ADRB1ADRB3KDM4EALDH1A1
SCHEMBL17280572 0.89 ADRB2 (0.60) ADRB2ADRB1ADRB3
SCHEMBL17280579 0.88 ADRB2 (0.53) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL12999567 0.86 ADRB2 (0.53) ADRB2ADRB1ADRB3MAPT
SCHEMBL16661815 0.84 ADRB2 (0.49) ADRB2ADRB1ADRB3KDM4EALDH1A1
SCHEMBL12903608 0.82 ADRB2 (0.54) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL5402453 0.81 ADRB2 (0.59) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL17885762 0.81 ADRB2 (0.51) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL18237262 0.81 ADRB2 (0.46) ADRB2ADRB1ADRB3KDM4EALDH1A1
SCHEMBL9698077 0.80 KDM4E (0.62) KDM4EALDH1A1CYP1A2HPGDCYP2C19

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