SCHEMBL10138010

SCHEMBL10138010

COc1ccc(-c2ccc(I)cc2)c(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
APP P05067 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GFER P55789 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL26768678 0.84 BAZ2B (0.56) CYP11B1CYP11B2SMN1; SMN2BAZ2BBAZ2A
SCHEMBL5521150 0.83 MEN1 (0.51) CYP11B1CYP11B2SMN1; SMN2BAZ2BBAZ2A
SCHEMBL10138012 0.83 TDP1 (0.48) CYP11B1CYP11B2SMN1; SMN2BAZ2BBAZ2A
SCHEMBL27821291 0.83 BAZ2B (0.53) CYP11B1CYP11B2SMN1; SMN2BAZ2BBAZ2A
SCHEMBL7832063 0.78 MEN1 (0.47) CYP11B1CYP11B2SMN1; SMN2BAZ2BBAZ2A
SCHEMBL5516525 0.78 APP (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10169411 0.77 CYP1A1 (0.62) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10138011 0.77 APP (0.51) SMN1; SMN2BAZ2BBAZ2AKDM4EAPP
SCHEMBL7839255 0.77 NPSR1 (0.48) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8824014 0.77 KDM4E (0.46) CYP11B1CYP11B2BAZ2BBAZ2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
US-20120116079-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2012-05-10 US disclosed