SCHEMBL8960547

SCHEMBL8960547

[CH2]CCCCC=CC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACLY P53396 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
SCHEMBL8960541 1.00 GMNN (0.32) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL8960553 0.95 GMNN (0.31) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL8960548 0.95 GMNN (0.31) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL1453744 0.81
SCHEMBL1453742 0.81
SCHEMBL5986741 0.78 FAAH (0.32)
SCHEMBL3207594 0.78 FAAH (0.32)
SCHEMBL29989010 0.77 GMNN (0.50) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL5985121 0.75 FAAH (0.36) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL5984042 0.75 FAAH (0.36) GMNNUSP2CYP1A2POLBCYP3A4

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-0693284-A1 PROSTACYCLIN-CONTAINING OLEAGINOUS OINTMENT TEIJIN LIMITED (JP) 1996-01-24 EP disclosed