SCHEMBL12845282

SCHEMBL12845282

CCC(CC)(Oc1ccc(C23CC4CC(CC(C)(C4)C2)C3)cc1)C(CC)(CC)c1c(F)c(F)c(-c2c(F)c(F)c(C)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
ESR1 P03372 1/20 0.33
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12780752 0.78 ESR1 (0.36) HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL8767208 0.67 LMNA (0.52) HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL25458202 0.61 GRIN2D (0.64) HSD11B1LMNA
SCHEMBL8766728 0.58 LMNA (0.56) HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL16352314 0.58 LMNA (0.56) HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL12276579 0.57 SMN1; SMN2 (0.65) HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL11545749 0.56 MEN1 (0.62) HSD11B1LMNASMN1; SMN2
SCHEMBL19089847 0.56 ESR1 (0.44) HSD11B1ESR1LMNASMN1; SMN2
SCHEMBL919804 0.56 ESR1 (0.60) ESR1LMNA
SCHEMBL13286054 0.55 MEN1 (0.64) ESR1LMNASMN1; SMN2

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-20110065021-A1 Novel Sulfonic-Acid-Group-Containing Segmented Block Copolymer, Application Thereof, and Method of Manufacturing Novel Block Copolymer TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-03-17 US disclosed