SCHEMBL8416653

SCHEMBL8416653

O=C(/C=C\C(=O)OCc1ccccc1)OCCO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.72
LMNA P02545 1/20 0.63
AKR1B10 O60218 7/20 0.58
AKR1B1 P15121 7/20 0.58
CA12 O43570 2/20 0.58
CA4 P22748 2/20 0.58
CA6 P23280 2/20 0.58
CA5A P35218 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CA5B Q9Y2D0 2/20 0.58
TTR P02766 1/20 0.52
ALDH1A1 P00352 4/20 0.51
POLB P06746 1/20 0.51
MAOB P27338 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL8416661 1.00 HCAR2 (0.72) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL3396648 0.90 HCAR2 (0.68) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL3396658 0.90 HCAR2 (0.68) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL337504 0.89 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL357565 0.89 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL337503 0.89 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL27659194 0.87 HCAR2 (0.85) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL10732314 0.86 HCAR2 (0.72) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL13386258 0.85 HCAR2 (0.53) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL27544884 0.85 HCAR2 (0.70) HCAR2LMNAAKR1B10AKR1B1CA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001892-A (A) UNSATURATED POLYESTER; (B) VINYL ETHER COMPONENT OF GIVEN FORMULA; AND (C) REACTIVE DILUENT COMPRISING AN UNSATURATED DIOIC ESTER OF GIVEN FORMULA, THE DILUENT LOWERS THE INITIAL APPLICATION VISCOSITY WITHOUT INCREASING CURE TIME PPG INDUSTRIES OHO, INC. (US) 1999-12-14 US disclosed
EP-0771331-B1 POLYESTER AND VINYL ETHER RADIATION CURABLE COMPOSITIONS WITH REACTIVE DILUENT PPG INDUSTRIES INC (US) 1998-08-26 EP disclosed
EP-0771331-A1 POLYESTER AND VINYL ETHER RADIATION CURABLE COMPOSITIONS WITH REACTIVE DILUENT PPG INDUSTRIES, INC. (US) 1997-05-07 EP disclosed
WO-1996001283-A1 POLYESTER AND VINYL ETHER RADIATION CURABLE COMPOSITIONS WITH REACTIVE DILUENT PPG INDUSTRIES, INC. (US) 1996-01-18 WO disclosed