SCHEMBL8364957

SCHEMBL8364957

CCCCC(CC)COc1cc(CCl)c(SC)cc1CCl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 3/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL1031784 0.84 HTR2A (0.40) ALDH1A1MAPK1CYP3A4L3MBTL1CA2
SCHEMBL23201542 0.77 CYP3A4 (0.47) ALDH1A1MAPK1CYP3A4L3MBTL1CA2
SCHEMBL12886723 0.76 ALDH1A1 (0.46) ALDH1A1MAPK1CYP3A4L3MBTL1CA2
SCHEMBL8363479 0.75 ALDH1A1 (0.38) ALDH1A1MAPK1CYP3A4L3MBTL1CA2
SCHEMBL1354131 0.75 CYP3A4 (0.41) ALDH1A1MAPK1CYP3A4L3MBTL1CA2
SCHEMBL19386323 0.74 HTR2A (0.49) ALDH1A1MAPK1CYP3A4L3MBTL1CA2
SCHEMBL6759539 0.73 ALDH1A1 (0.37) ALDH1A1MAPK1CYP3A4L3MBTL1CA2
SCHEMBL7745907 0.73 HTR2A (0.40) ALDH1A1MAPK1CYP3A4L3MBTL1CA2
SCHEMBL12514871 0.73 CYP3A4 (0.41) ALDH1A1MAPK1CYP3A4L3MBTL1CA2
SCHEMBL13141996 0.72 TAAR1 (0.47) ALDH1A1MAPK1CYP3A4L3MBTL1CA2

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-5817430-A POLYARYLENEVINYLENE POLYMER XEROX CORPORATION (US) 1998-10-06 US claimed
US-5876865-A POLYARYLENEVINYLENE RESIN XEROX CORPORATION (US) 1999-03-02 US disclosed
US-5817430-A POLYARYLENEVINYLENE POLYMER XEROX CORPORATION (US) 1998-10-06 US disclosed