SCHEMBL8640950

SCHEMBL8640950

CCN1CCCC1Oc1ccc(Cc2ccccc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.43
LMNA P02545 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
FAAH O00519 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LTA4H P09960 3/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.36
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 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
SCHEMBL8639947 0.86 LTA4H (0.51) SCN3ALMNAFAAHLTA4H
SCHEMBL8637785 0.86 SCN3A (0.53) SCN3ASPHK2SPHK1SMN1; SMN2
SCHEMBL8637805 0.85 HRH3 (0.47) LMNARECQLSMN1; SMN2
SCHEMBL8644129 0.84 LMNA (0.41) LMNASPHK2SPHK1ALDH1A1LTA4H
SCHEMBL8637445 0.81 HRH1 (0.46) LTA4H
SCHEMBL8637775 0.80 MAOA (0.44) SPHK2SPHK1ALDH1A1LTA4HSMN1; SMN2
SCHEMBL8641764 0.80 HRH3 (0.50) SPHK2SPHK1LTA4H
SCHEMBL7246918 0.79 CARM1 (0.40) SMN1; SMN2
SCHEMBL8639270 0.79 LTA4H (0.44) SPHK2SPHK1LTA4H
SCHEMBL8641796 0.77 FFAR1 (0.50) SCN3A

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