SCHEMBL7323749

SCHEMBL7323749

COCCCCCOc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
GPR119 Q8TDV5 8/20 0.53
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NAMPT P43490 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
RET P07949 1/20 0.45

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
SCHEMBL21659187 0.90 MAPT (0.60) SMN1; SMN2MAPTLMNAGPR119ALDH1A1
SCHEMBL7340453 0.87 MAPT (0.55) SMN1; SMN2MAPTLMNAGPR119ALDH1A1
SCHEMBL21659296 0.86 MAPT (0.57) SMN1; SMN2MAPTLMNAGPR119ALDH1A1
SCHEMBL21659378 0.86 MAPT (0.58) SMN1; SMN2MAPTLMNAGPR119ALDH1A1
SCHEMBL22776398 0.86 MAPT (0.58) SMN1; SMN2MAPTLMNAGPR119ALDH1A1
SCHEMBL31716461 0.86 MAPT (0.54) SMN1; SMN2MAPTLMNAGPR119ALDH1A1
SCHEMBL31715945 0.85 MAPT (0.53) SMN1; SMN2MAPTLMNAGPR119ALDH1A1
SCHEMBL3575001 0.85 MAPT (0.57) SMN1; SMN2MAPTLMNAGPR119ALDH1A1
SCHEMBL20305774 0.84 MAPT (0.56) SMN1; SMN2MAPTLMNAGPR119ALDH1A1
SCHEMBL23868398 0.83 MAPT (0.58) SMN1; SMN2MAPTLMNAGPR119ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
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