SCHEMBL8945443

SCHEMBL8945443

C=CC(=O)OCc1ccccc1.CC(=CCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HCAR2 Q8TDS4 2/20 0.48
LMNA P02545 2/20 0.46
AKR1B10 O60218 2/20 0.43
AKR1B1 P15121 2/20 0.43
CA12 O43570 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
THRB P10828 1/20 0.42
POLB P06746 1/20 0.41
TGM2 P21980 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL10336731 0.84 ALDH1A1 (0.41) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
Methacrylic Acid SCHEMBL6054004 0.84 ALDH1A1 (0.56) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
Acrylic Acid SCHEMBL2912970 0.84 CYP2C9 (0.45) ALDH1A1LMNAAKR1B1CA12CA9
SCHEMBL28230354 0.83 HCAR2 (0.65) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
Benzene SCHEMBL28307095 0.83 HCAR2 (0.65) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
SCHEMBL34054 0.83 HCAR2 (0.65) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
SCHEMBL28056140 0.83 ALDH1A1 (0.49) ALDH1A1HCAR2LMNAMAPK1L3MBTL1
SCHEMBL8735071 0.83 THRB (0.68) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
Propene SCHEMBL28200015 0.82 HCAR2 (0.59) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
SCHEMBL11696680 0.82 HCAR2 (0.62) ALDH1A1HCAR2LMNAAKR1B10AKR1B1

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-5589312-A RESIN GRAINS FUJI PHOTO FILM CO., LTD. (JP) 1996-12-31 US disclosed