SCHEMBL9123731

SCHEMBL9123731

CCCCc1ccc(CCc2ccc(CCCC)c3c2[CH]c2ccccc2-3)c2c1-c1ccccc1[CH]2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ELANE P08246 6/20 0.37
CTSG P08311 4/20 0.37
TYR P14679 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CTRC Q99895 1/20 0.32
SETD7 Q8WTS6 1/20 0.31
GPR3 P46089 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
SCHEMBL1029658 0.98 NR1H2 (0.38) NR1H2NR1H3ELANECTSGTYR
SCHEMBL8022504 0.80 NR1H2 (0.42) NR1H2NR1H3ELANECTSGLIPG
SCHEMBL215717 0.80 NR1H2 (0.42) NR1H2NR1H3ELANECTSGLIPG
SCHEMBL217439 0.76 NR1H2 (0.36) NR1H2NR1H3ELANECTSGTYR
SCHEMBL216507 0.75 NR1H2 (0.48) NR1H2NR1H3ELANECTSGLIPG
SCHEMBL2870398 0.75 SETD7 (0.35) NR1H2NR1H3SETD7
SCHEMBL6571152 0.75 NR1H2 (0.48) NR1H2NR1H3ELANECTSGLIPG
SCHEMBL215850 0.74 NR1H2 (0.50) NR1H2NR1H3ELANECTSGLIPG
SCHEMBL6571190 0.74 NR1H2 (0.50) NR1H2NR1H3ELANECTSGLIPG
SCHEMBL216255 0.74 NR1H2 (0.50) NR1H2NR1H3ELANECTSGLIPG

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-5459117-A Doubly-conformationally locked, stereorigid catalysts for the preparation of tactiospecific polymers MONTELL TECHNOLOGY COMPANY BV (NL) 1995-10-17 US disclosed