SCHEMBL7214616

SCHEMBL7214616

CCCC1CCC(C2CCC(c3cccc(OCC)c3C(F)F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
CYP2C9 P11712 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
DRD2 P14416 1/20 0.32
OPRL1 P41146 7/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR2 O43614 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL1509932 0.87 VEGFA (0.34) VEGFACYP2C9OPRL1ALDH1A1LMNA
SCHEMBL7215898 0.87 VEGFA (0.34) VEGFACYP2C9OPRL1ALDH1A1LMNA
SCHEMBL12834683 0.87 VEGFA (0.34) VEGFACYP2C9OPRL1ALDH1A1LMNA
SCHEMBL13025948 0.86 VEGFA (0.33) VEGFACYP2C9OPRL1ALDH1A1LMNA
SCHEMBL14340374 0.83 VEGFA (0.36) VEGFACYP2C9OPRL1ALDH1A1LMNA
SCHEMBL9810931 0.79 HTR1D (0.48) HTR1DHTR1BCYP2C9HTR2AHTR2C
SCHEMBL15203882 0.79 CYP2C9 (0.35) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL427347 0.79 CYP2C9 (0.35) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL4400193 0.79 CYP2C9 (0.35) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL1311026 0.79 CYP2C9 (0.35) CYP2C9OPRL1ALDH1A1LMNAMAPT

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
US-6576303-B1 Negative and absolutely large Delta set- membership value CHISSO CORPORATION (JP) 2003-06-10 US disclosed