SCHEMBL4627339

SCHEMBL4627339

CCCC(O)Cc1cccc(-c2c(C)cc(C)cc2C)n1.CCCC(O)Cc1cccc(Br)n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.33
ALDH1A1 P00352 2/20 0.31
MTOR P42345 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PLIN1 O60240 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
PLIN5 Q00G26 1/20 0.31
LTB4R Q15722 1/20 0.31
ABHD5 Q8WTS1 1/20 0.31

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
SCHEMBL2070175 0.93 LTB4R (0.34) CRHR1ALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL2071082 0.83 LTB4R (0.39) ALDH1A1MTORPMP22SMN1; SMN2CYP3A4
SCHEMBL4627831 0.82 LTB4R (0.33) CRHR1ALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL4626195 0.76 LTB4R (0.35) ALDH1A1MTORPMP22SMN1; SMN2CYP3A4
SCHEMBL4627342 0.76 CRHR1 (0.32) CRHR1
SCHEMBL31458627 0.75 HTR7 (0.37) CRHR1ALDH1A1MAPK1
SCHEMBL2072180 0.75 HTR7 (0.37) CRHR1ALDH1A1MAPK1
SCHEMBL4627833 0.74 LTB4R (0.34) ALDH1A1MTORPMP22SMN1; SMN2CYP3A4
SCHEMBL4628888 0.73 HTR7 (0.36) CRHR1ALDH1A1MAPK1
SCHEMBL2070847 0.71 NOS1 (0.40) CRHR1ALDH1A1SMN1; SMN2MAPTMAPK1

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
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO disclosed