SCHEMBL11849574

SCHEMBL11849574

O=C(/C=C/c1ccc(-c2ccccc2)cc1)OCC1CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.71
AKR1B10 O60218 4/20 0.50
AKR1B1 P15121 4/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
LMNA P02545 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
HDAC2 Q92769 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
MAOB P27338 1/20 0.47
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL11849582 1.00 MGLL (0.71) MGLLAKR1B10AKR1B1CA12CA7
SCHEMBL11843384 0.91 LMNA (0.59) MGLLAKR1B10AKR1B1CA12CA7
SCHEMBL11843391 0.91 LMNA (0.59) MGLLAKR1B10AKR1B1CA12CA7
SCHEMBL14682239 0.91 LMNA (0.59) MGLLAKR1B10AKR1B1CA12CA7
SCHEMBL11845918 0.91 MGLL (0.60) MGLLAKR1B10AKR1B1CA12CA7
SCHEMBL11845735 0.86 MGLL (0.54) MGLLAKR1B10AKR1B1CA12CA7
SCHEMBL11842988 0.86 LMNA (0.55) MGLLAKR1B10AKR1B1CA12CA7
SCHEMBL11842982 0.86 LMNA (0.55) MGLLAKR1B10AKR1B1CA12CA7
SCHEMBL11845739 0.86 MGLL (0.54) MGLLAKR1B10AKR1B1CA12CA7
SCHEMBL19900121 0.85 LMNA (0.56) MGLLAKR1B10AKR1B1CA12CA7

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-3975429-A Cyclopropanemethyl esters of cinnamic acid and derivatives thereof ZOECON CORPORATION (US) 1976-08-17 US disclosed