SCHEMBL7861392

SCHEMBL7861392

CCCCCCCCC(CCCC)CC(CC)CO[C]=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.37
CA2 P00918 4/20 0.35
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
DNM1 Q05193 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL1110039 0.90 CYP3A4 (0.47) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL23360658 0.88 LMNA (0.43) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL3030454 0.88 CYP3A4 (0.48) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL7205358 0.86 LMNA (0.45) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL96307 0.86 CYP3A4 (0.55) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL7209537 0.86 LMNA (0.45) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL7204580 0.86 LMNA (0.45) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL8634225 0.84 LMNA (0.41) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL10527246 0.83 PRSS1 (0.42) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL5739082 0.80 LMNA (0.39) CYP3A4L3MBTL1PRSS1PRSS2PRSS3

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-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 EP disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed