SCHEMBL8053723

SCHEMBL8053723

CCCC1([O])c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.42
APEX1 P27695 1/20 0.41
CYP2D6 P10635 1/20 0.39
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S100A4 P26447 1/20 0.36
PDK2 Q15119 4/20 0.36
ITGA4 P13612 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8050657 0.88 ELANE (0.41) PGRAPEX1CYP2D6TDP1PDK2
SCHEMBL8036437 0.82 CYP2D6 (0.41) PGRAPEX1CYP2D6THRBTDP1
SCHEMBL9867937 0.77 APEX1 (0.53) PGRAPEX1CYP2D6THRBTDP1
SCHEMBL1617518 0.77 APEX1 (0.53) PGRAPEX1CYP2D6THRBTDP1
SCHEMBL29370881 0.77 APEX1 (0.53) PGRAPEX1CYP2D6THRBTDP1
SCHEMBL22870080 0.76 PGR (0.40) PGRAPEX1CYP2D6THRBTDP1
SCHEMBL8053728 0.74 CYP1A2 (0.47) APEX1CYP2D6THRBTDP1PDK2
SCHEMBL6648148 0.74 APEX1 (0.38) PGRAPEX1CYP2D6THRBTDP1
SCHEMBL9781136 0.72 PGR (0.44) PGRAPEX1CYP2D6THRBTDP1
SCHEMBL6187511 0.72 THRB (0.50) APEX1THRBTDP1PDK2ITGA4

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-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed