SCHEMBL8638836

SCHEMBL8638836

CCN1CCCC1Oc1cc(C)c(Cc2ccccc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HRH1 P35367 2/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CD274 Q9NZQ7 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CRHBP P24387 1/20 0.34

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 0.85 SMN1; SMN2 (0.42) MAPTALDH1A1CD274CRHBPCRHR2
SCHEMBL8637439 0.77 LTA4H (0.50) LMNAALDH1A1CD274SMN1; SMN2SIGMAR1
SCHEMBL8637725 0.76 CRHBP (0.38) MEN1MAPTKMT2AALDH1A1CRHBP
SCHEMBL8639947 0.76 LTA4H (0.51) SCN1ASCN2ASCN3ALMNASIGMAR1
SCHEMBL8638274 0.74 LTA4H (0.39) KDM4ELMNA
SCHEMBL8637445 0.73 HRH1 (0.46) HRH1SIGMAR1
SCHEMBL7246918 0.72 CARM1 (0.40) SMN1; SMN2
SCHEMBL8637805 0.72 HRH3 (0.47) KDM4ELMNASMN1; SMN2
SCHEMBL8641764 0.71 HRH3 (0.50) SIGMAR1
SCHEMBL3134730 0.71 ALDH1A1 (0.40) KDM4ELMNAMEN1MAPTKMT2A

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