SCHEMBL8887653

SCHEMBL8887653

[CH2]C(CCCCC)Oc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.42
MMP9 P14780 7/20 0.42
ADAM17 P78536 4/20 0.42
MMP1 P03956 4/20 0.42
MMP2 P08253 3/20 0.40
MMP3 P08254 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
SLC2A1 P11166 1/20 0.37
HDAC3 O15379 1/20 0.36

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
SCHEMBL7976811 0.84 LTA4H (0.44) NR1I2
SCHEMBL8554246 0.82 LTA4H (0.43) SLC2A1NR1I2
SCHEMBL2518650 0.82 LTA4H (0.43) SLC2A1NR1I2
SCHEMBL28177008 0.82 LTA4H (0.43) SLC2A1NR1I2
SCHEMBL11319699 0.82 LTA4H (0.43) SLC2A1NR1I2
Ammonia Solution, Strong SCHEMBL17311200 0.81 LTA4H (0.42) SLC2A1NR1I2
SCHEMBL5968383 0.80 CHRNB2 (0.39) MMP13MMP9ADAM17MMP1CA1
SCHEMBL17910258 0.79 MMP13 (0.42) MMP13MMP9ADAM17MMP1MMP2
SCHEMBL8923714 0.79 PPARA (0.42) MMP2CA1CA2CA9
SCHEMBL4635829 0.78 LTA4H (0.44) NR1I2

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-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed