SCHEMBL8053320

SCHEMBL8053320

C=Cc1ccc(OCC(=O)OCC=C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTGS2 P35354 2/20 0.43
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
BLM P54132 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAPT P10636 1/20 0.42
CNR1 P21554 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL8045370 0.89 GAA (0.49) GAANPSR1SMN1; SMN2PTGS2HPGD
SCHEMBL6778438 0.83 GAA (0.62) GAANPSR1SMN1; SMN2PTGS2HPGD
SCHEMBL8011412 0.81 CHRNB2 (0.47) GAAHPGDKDM4EALDH1A1BLM
SCHEMBL8045382 0.81 GAA (0.43) GAANPSR1SMN1; SMN2PTGS2HPGD
SCHEMBL8035873 0.81 TRPV1 (0.46) GAANPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL8035505 0.81 GAA (0.42) GAANPSR1SMN1; SMN2PTGS2HPGD
SCHEMBL8035861 0.81 TRPV1 (0.46) GAANPSR1SMN1; SMN2BLMMEN1
SCHEMBL8046472 0.80 TRPV1 (0.45) GAANPSR1SMN1; SMN2BLMMEN1
SCHEMBL6773900 0.79 CHRNB2 (0.51) GAANPSR1SMN1; SMN2PTGS2HPGD
SCHEMBL6774718 0.79 PTGS2 (0.65) GAASMN1; SMN2PTGS2ALDH1A1MEN1

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