SCHEMBL8637439

SCHEMBL8637439

CCN1CCCC1Oc1ccc(Cc2ccccc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.50
SIGMAR1 Q99720 7/20 0.39
DRD4 P21917 6/20 0.39
LMNA P02545 1/20 0.37
TMEM97 Q5BJF2 3/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL8639136 0.87 SMN1; SMN2 (0.42) LTA4HPDCD1CD274ALDH1A1SMN1; SMN2
SCHEMBL8638274 0.86 LTA4H (0.39) LTA4HLMNA
SCHEMBL8637775 0.79 MAOA (0.44) LTA4HSIGMAR1DRD4TMEM97ALDH1A1
SCHEMBL8639947 0.78 LTA4H (0.51) LTA4HSIGMAR1LMNA
SCHEMBL8637445 0.78 HRH1 (0.46) LTA4HSIGMAR1
SCHEMBL8638836 0.77 KDM4E (0.38) SIGMAR1LMNACD274ALDH1A1SMN1; SMN2
SCHEMBL8640950 0.75 SCN3A (0.43) LTA4HLMNAALDH1A1SMN1; SMN2
SCHEMBL8644129 0.75 LMNA (0.41) LTA4HLMNAALDH1A1SMN1; SMN2
SCHEMBL8638269 0.74 LTA4H (0.50) LTA4HSIGMAR1
SCHEMBL8641109 0.74 LTA4H (0.52) LTA4HSIGMAR1ALDH1A1

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
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed