SCHEMBL19509080

SCHEMBL19509080

Fc1ccc(-c2c(F)cc(-c3ccc(C4OCCCO4)cc3)cc2F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKAG1 P54619 4/20 0.34
PRKAA1 Q13131 4/20 0.34
PRKAB1 Q9Y478 4/20 0.34
PRKAA2 P54646 3/20 0.34
PRKAB2 O43741 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
CTSC P53634 1/20 0.33
IDO1 P14902 2/20 0.32

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
SCHEMBL18900889 0.91 CYP11B2 (0.45) CYP11B1CYP11B2CCNB2CDK1CCNB1
SCHEMBL19850827 0.84 CYP11B1 (0.47) CYP11B1CYP11B2CCNB2CDK1CCNB1
SCHEMBL8971859 0.84 CYP11B2 (0.48) CYP11B1CYP11B2CCNB2CDK1CCNB1
SCHEMBL17192663 0.82 CYP11B1 (0.33) CYP11B1CYP11B2IDO1TDO2NOTUM
SCHEMBL20083430 0.82 KDM1A (0.35) CYP11B1CYP11B2CCNB2CDK1CCNB1
SCHEMBL20083393 0.82 P2RY14 (0.31) CYP11B1CYP11B2IDO1TDO2NOTUM
SCHEMBL20083392 0.82 GRM2 (0.38) CYP11B1CYP11B2
SCHEMBL19509572 0.81 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL6882198 0.80 CYP11B1 (0.41) CYP11B1CYP11B2MEN1KMT2AIDO1
SCHEMBL19500350 0.79 GCGR (0.31) CYP11B1CYP11B2IDO1TDO2

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-10400168-B2 Composition and liquid crystal display device using the same DIC CORPORATION (JP) 2019-09-03 US disclosed
US-20170306231-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-10-26 US disclosed