SCHEMBL6895973

SCHEMBL6895973

C=C(C/C=C/C(=O)O)C(=O)OCCCC.CCC(CO)(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.43
ATM Q13315 1/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL313840 0.89 HCAR2 (0.53) HCAR2ATMTSHRHPGDALDH1A1
SCHEMBL5607697 0.86 TSHR (0.47) HCAR2ATMTSHRHPGDALDH1A1
SCHEMBL325215 0.85 HCAR2 (0.54) HCAR2ATMTSHRHPGDALDH1A1
SCHEMBL6060612 0.84 HCAR2 (0.55) HCAR2ATMTSHRHPGDALDH1A1
SCHEMBL9299634 0.84 HCAR2 (0.55) HCAR2ATMTSHRHPGDALDH1A1
SCHEMBL10347496 0.84 HCAR2 (0.55) HCAR2ATMTSHRHPGDALDH1A1
SCHEMBL121143 0.84 HCAR2 (0.55) HCAR2ATMTSHRHPGDALDH1A1
Acrolein SCHEMBL11765426 0.83 HCAR2 (0.46) HCAR2ATMTSHRHPGDALDH1A1
SCHEMBL7739132 0.83 TSHR (0.54) HCAR2ATMTSHRHPGDALDH1A1
SCHEMBL5054808 0.82 HCAR2 (0.31) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756153-B1 COMPRISED OF SUCH AS 2-ETHYLHEXYL ACRYLATE, ACRYLIC ACID, BUTADIENE AND ETHYLENE GLYCOL DIMETHACRYLATE; SERVICE CAPACITY; ENHANCED HIGH TEMPERATURE CHARGE DISCHARGE CHARACTERISTICS ZEON CORPORATION (JP) 2004-06-29 US disclosed