SCHEMBL28117903

SCHEMBL28117903

C=CC(=O)OCc1ccccc1.C=CCOC(=O)C=C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.56
LMNA P02545 2/20 0.53
CYP3A4 P08684 1/20 0.50
AKR1B10 O60218 2/20 0.49
AKR1B1 P15121 2/20 0.49
CA12 O43570 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 6/20 0.49
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
Benzene SCHEMBL28307095 0.91 HCAR2 (0.65) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL34054 0.91 HCAR2 (0.65) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL28230354 0.91 HCAR2 (0.65) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL7082007 0.90 HCAR2 (0.70) HCAR2LMNACYP3A4AKR1B10AKR1B1
SCHEMBL7088982 0.90 HCAR2 (0.70) HCAR2LMNACYP3A4AKR1B10AKR1B1
SCHEMBL7082004 0.90 HCAR2 (0.70) HCAR2LMNACYP3A4AKR1B10AKR1B1
SCHEMBL11696680 0.90 HCAR2 (0.62) HCAR2LMNAAKR1B10AKR1B1CA12
Bicarbonate SCHEMBL3955752 0.90 HCAR2 (0.62) HCAR2LMNAAKR1B10AKR1B1CA12
Hydrochloric Acid SCHEMBL28804358 0.90 HCAR2 (0.62) HCAR2LMNAAKR1B10AKR1B1CA12
Methane SCHEMBL28851569 0.90 HCAR2 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106256838-B Metal ionomer polymer 施乐公司 2019-08-30 CN disclosed
CN-105038407-B The ink of wetting property with raising 施乐公司 2018-06-05 CN disclosed
CN-106256838-A Metal ionomer polymer 施乐公司 2016-12-28 CN disclosed