SCHEMBL12780752

SCHEMBL12780752

Cc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccc(C45CC6CC(CC(C)(C6)C4)C5)cc3)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
HSD11B1 P28845 2/20 0.34
PGR P06401 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 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
SCHEMBL12845282 0.78 HSD11B1 (0.33) ESR1SMN1; SMN2LMNAHSD11B1
SCHEMBL8767208 0.74 LMNA (0.52) ESR1SMN1; SMN2LMNAHSD11B1PGR
SCHEMBL25458202 0.68 GRIN2D (0.64) LMNAHSD11B1PGRMEN1KMT2A
SCHEMBL8766728 0.65 LMNA (0.56) ESR1SMN1; SMN2LMNAHSD11B1PGR
SCHEMBL16352314 0.65 LMNA (0.56) ESR1SMN1; SMN2LMNAHSD11B1PGR
SCHEMBL2710493 0.64 ALDH1A1 (0.64) ESR1SMN1; SMN2LMNAPGRMEN1
SCHEMBL13952954 0.64 ESR2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL27845478 0.64 LMNA (0.61) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL4569587 0.64 TEAD4 (0.45) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL16216731 0.63 LMNA (0.52) SMN1; SMN2LMNAMEN1KMT2AALDH1A1

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