SCHEMBL8045382

SCHEMBL8045382

CC(C)=CCOC(=O)COc1ccc(C(c2ccc(OCC(=O)OCC=C(C)C)cc2)c2ccc(OCC(=O)OCC=C(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BLM P54132 2/20 0.39
PMP22 Q01453 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADORA3 P0DMS8 1/20 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
SCHEMBL8035505 0.91 GAA (0.42) GAANPSR1TRPV1ALDH1A1TSHR
SCHEMBL8045370 0.91 GAA (0.49) GAANPSR1TRPV1ALDH1A1TSHR
SCHEMBL8035861 0.82 TRPV1 (0.46) GAANPSR1TRPV1CYP1A2CYP3A4
SCHEMBL8035873 0.82 TRPV1 (0.46) GAANPSR1TRPV1CYP1A2CYP3A4
SCHEMBL8053320 0.81 GAA (0.44) GAANPSR1TRPV1ALDH1A1CYP1A2
SCHEMBL8046472 0.81 TRPV1 (0.45) GAANPSR1TRPV1CYP1A2CYP3A4
SCHEMBL12227873 0.76 GAA (0.65) GAAALDH1A1TSHRCYP2C19MAPT
SCHEMBL9856587 0.73 MAPT (0.49) GAAALDH1A1BLMMAPTMEN1
SCHEMBL8958894 0.72 CNR1 (0.53) GAAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL8036010 0.69 KDM4E (0.53) GAAALDH1A1BLMMAPTMEN1

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-6010826-A Resist composition NIPPON ZEON CO., LTD. (JP) 2000-01-04 US disclosed
EP-0786701-A1 RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1997-07-30 EP disclosed