SCHEMBL8430447

SCHEMBL8430447

CCOC(=O)CCCC(OCC)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 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
SCHEMBL8434526 0.88 L3MBTL1 (0.50) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL8430633 0.87 CYP1A2 (0.48) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL8434211 0.84 TSHR (0.54) CYP1A2KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL8430624 0.84 CYP1A2 (0.53) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL10612920 0.82 DGKA (0.52) CYP1A2KMT2AL3MBTL1CYP3A4TSHR
SCHEMBL10577792 0.81 CYP1A2 (0.50) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL8435186 0.79 CYP1A2 (0.57) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL127142 0.79 CYP1A2 (0.57) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL15915437 0.79 ALOX15 (0.36) CYP1A2KMT2ACYP3A4ALOX15CYP2C19
SCHEMBL9517412 0.79 AKR1B1 (0.44) KMT2ATSHRTDP1ALDH1A1ALOX15

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
EP-0562819-B1 Resist coating composition JSR CORP (JP) 1999-12-01 EP disclosed
EP-0562819-A2 Resist coating composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-09-29 EP disclosed