SCHEMBL3387314

SCHEMBL3387314

CCCCCCC(COC(O)CC)OCC(CC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
CA2 P00918 1/20 0.36
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
RECQL P46063 1/20 0.35
SMPD1 P17405 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL6248707 0.87 ALDH1A1 (0.50) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL27870950 0.85 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL28275392 0.83 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL1527141 0.79 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL28166197 0.78 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL15786418 0.77 CYP3A4 (0.52) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL7213996 0.76 ALDH1A1 (0.57) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL19123571 0.76 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL18327084 0.75 LMNA (0.48) CYP3A4TSHRPRSS1PRSS2PRSS3
SCHEMBL18327086 0.75 LMNA (0.48) CYP3A4TSHRPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740166-B1 THERAPEUTIC ANTIMICROBIAL COMPOSITIONS AND METHODS PROCTER & GAMBLE (US) 2010-12-22 EP claimed