SCHEMBL8087296

SCHEMBL8087296

CCCC(CCCCOC)Oc1c[c]ccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8086261 0.96 CYP1A2 (0.31) LTA4HCYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL8090438 0.90 TAS1R3 (0.30)
SCHEMBL27303530 0.87 LTA4H (0.34) LTA4H
SCHEMBL6933362 0.86 LTA4H (0.30) LTA4H
SCHEMBL921435 0.76 KCNA3 (0.43) LTA4HCYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL1712248 0.75 KCNA3 (0.42) LTA4HCYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL920697 0.75 KCNA3 (0.42) LTA4HCYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL919376 0.75 KCNA3 (0.42) LTA4HCYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL7337414 0.74 PLAU (0.33) LTA4H
SCHEMBL5273491 0.73 MCHR1 (0.36) LTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed