SCHEMBL18099447

SCHEMBL18099447

COc1cc2c3c(c4c(c2cc1N1CCCCC1)-c1ccc(-c2ccccc2)cc1C4(C)C)C=CC(c1ccc(OCCOC(=O)CCCCCO)cc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.33
PDPK1 O15530 2/20 0.33
JAK2 O60674 2/20 0.33
MAPK8 P45983 2/20 0.33
EGFR P00533 1/20 0.33
MARK3 P27448 1/20 0.33
GSK3B P49841 1/20 0.33
MARK2 Q7KZI7 1/20 0.33
AURKB Q96GD4 1/20 0.33
HTR1A P08908 4/20 0.32
DRD2 P14416 4/20 0.32
HTR7 P34969 4/20 0.32
HTR6 P50406 4/20 0.32
AURKA O14965 1/20 0.30
RPS6KB1 P23443 1/20 0.30
CDK2 P24941 1/20 0.30
PLK3 Q9H4B4 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
PLA2G4A P47712 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
SCHEMBL18099438 0.92 RARA (0.31) HTR1ADRD2HTR7HTR6
SCHEMBL18099448 0.90 HTR1A (0.33) CHEK1PDPK1JAK2MAPK8EGFR
SCHEMBL9250941 0.90 HTR1A (0.31) CHEK1PDPK1JAK2MAPK8EGFR
SCHEMBL18099433 0.90 KCNH2 (0.31) CHEK1PDPK1JAK2MAPK8EGFR
SCHEMBL9289952 0.88 HTR1A (0.30) HTR1ADRD2HTR7HTR6
SCHEMBL18099437 0.87
SCHEMBL8510919 0.87 FFAR4 (0.32)
SCHEMBL18091463 0.87 AKT1 (0.33) CHEK1CDK2
SCHEMBL18102226 0.85 PIK3CA (0.31) CHEK1
SCHEMBL18099435 0.84 USP2 (0.32) HTR1ACDK2

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-20160279886-A1 METHOD OF FORMING A PHOTOCHROMIC SEGMENTED MULTIFOCAL LENS TRANSITIONS OPTICAL, INC. 2016-09-29 US disclosed