SCHEMBL29919785

SCHEMBL29919785

CCCCOc1ccc2cc3cc(OCCCC)ccc3cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA6 P23280 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
CA3 P07451 1/20 0.56
CA4 P22748 1/20 0.56
LTA4H P09960 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AHR P35869 1/20 0.49
NR5A1 Q13285 1/20 0.48
THRA P10827 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 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
SCHEMBL347009 1.00 CA12 (0.56) CA12CA1CA2CA6CA7
SCHEMBL15772990 0.95 CA12 (0.56) CA12CA1CA2CA6CA7
SCHEMBL29779708 0.95 CA12 (0.59) CA12CA1CA2CA6CA7
SCHEMBL19809314 0.95 CA12 (0.59) CA12CA1CA2CA6CA7
SCHEMBL30426140 0.94 NR5A1 (0.58) CA12CA1CA2CA6CA7
SCHEMBL23458236 0.91 CA12 (0.56) CA12CA1CA2CA6CA7
SCHEMBL29919643 0.91 CA12 (0.56) CA12CA1CA2CA6CA7
SCHEMBL17162145 0.90 NR5A1 (0.58) CA12CA1CA2CA6CA7
SCHEMBL17018215 0.90 NR5A1 (0.58) CA12CA1CA2CA6CA7
SCHEMBL10642885 0.89 NR5A1 (0.62) CA12CA1CA2CA6CA7

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
EP-4069806-A1 METHOD OF MARKING A PETROLEUM HYDROCARBON Sicpa Holding SA (CH) 2022-10-12 EP disclosed