SCHEMBL9853801

SCHEMBL9853801

C=C(CC)CCC=CC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
APEX1 P27695 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8355110 0.75 ALDH1A1 (0.45) CYP3A4RECQLBLMHSD17B10
SCHEMBL1438050 0.75
SCHEMBL1438049 0.75
SCHEMBL1232220 0.74
SCHEMBL11006454 0.72
SCHEMBL2855469 0.71 F7 (0.45) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL7628841 0.71
SCHEMBL7628838 0.71
SCHEMBL9853799 0.71 ALDH1A1 (0.33)
SCHEMBL25309652 0.69

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-0426073-A2 Solid feeding of silane crosslinking agents into extruder UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1991-05-08 EP claimed