SCHEMBL17280574

SCHEMBL17280574

CCC(O)COc1ccc2c(OCC(O)COc3ccc4cc(C(=O)OC)ccc4c3)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.53
KDM4E B2RXH2 1/20 0.42
NR2E1 Q9Y466 4/20 0.42
LCK P06239 1/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
ADRB2 P07550 4/20 0.41
ADRB1 P08588 4/20 0.41
CYP1A2 P05177 3/20 0.41
SLC6A4 P31645 3/20 0.41
HTR2B P41595 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
ADRB3 P13945 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
SCN1A P35498 2/20 0.41
HTR6 P50406 2/20 0.41
SLC10A1 Q14973 2/20 0.41

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
SCHEMBL17280580 0.96 CYP2D6 (0.49) CYP2D6KDM4ENR2E1LCKTSHR
SCHEMBL17280576 0.86 CYP2D6 (0.66) CYP2D6KDM4ENR2E1TSHRALDH1A1
SCHEMBL17280579 0.82 ADRB2 (0.53) TSHRGAAALDH1A1LMNAADRB2
SCHEMBL7988758 0.78 KDM4E (0.62) KDM4ETSHRLMNAADRB2ADRB1
SCHEMBL1587026 0.77 LMNA (0.54) KDM4ETSHRGAAALDH1A1LMNA
SCHEMBL1587028 0.77 LMNA (0.54) KDM4ETSHRGAAALDH1A1LMNA
SCHEMBL1587023 0.77 LMNA (0.54) KDM4ETSHRGAAALDH1A1LMNA
SCHEMBL12999567 0.77 ADRB2 (0.53) LMNAADRB2ADRB1ADRB3RAB9A
SCHEMBL26425959 0.75 CYP2D6 (0.58) CYP2D6KDM4ENR2E1TSHRALDH1A1
SCHEMBL26326266 0.75 CYP2D6 (0.55) CYP2D6KDM4ENR2E1TSHRALDH1A1

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