SCHEMBL8430633

SCHEMBL8430633

CCCOC(CCCC(=O)OCC)OCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
DGKA P23743 1/20 0.44
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE4D Q08499 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL8431841 0.89 L3MBTL1 (0.46) CYP1A2DGKAKMT2APOLBCYP3A4
SCHEMBL8430447 0.87 CYP1A2 (0.53) CYP1A2DGKAKMT2APOLBCYP3A4
SCHEMBL8432269 0.84 TSHR (0.50) DGKATSHRL3MBTL1ALDH1A1LMNA
SCHEMBL10611810 0.84 DGKA (0.55) DGKAKMT2ACYP3A4TSHRTDP1
SCHEMBL24588883 0.83 DGKA (0.40) CYP1A2DGKAKMT2APOLBCYP3A4
SCHEMBL11508219 0.82 DGKA (0.53) DGKAKMT2ACYP3A4TSHRTDP1
SCHEMBL27730934 0.80 CYP1A2 (0.43) CYP1A2DGKAKMT2APOLBCYP3A4
SCHEMBL8430624 0.79 CYP1A2 (0.53) CYP1A2DGKAKMT2APOLBCYP3A4
SCHEMBL8574175 0.79 MGAM (0.46) CYP1A2CYP3A4TSHRTDP1L3MBTL1
SCHEMBL24587730 0.79 ALDH1A1 (0.61) CYP1A2DGKACYP3A4TSHRTDP1

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