SCHEMBL27637282

SCHEMBL27637282

Cc1cc(C)cc(/C=C/C2CCN(C(=O)CCN3CCOCC3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
THRB P10828 1/20 0.43
HSP90AA1 P07900 2/20 0.43
PAX8 Q06710 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
TSHR P16473 1/20 0.40
KDM1A O60341 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27637239 0.89 TSHR (0.48) RAB9ATHRBKDM4ETLR9TLR8
SCHEMBL28757674 0.86 MAOB (0.46) RAB9ATHRBLMNATP53POLB
Hydrochloric Acid SCHEMBL2540604 0.81 HSP90AA1 (0.43) RAB9AHSP90AA1PAX8KDM4ETLR9
Hydrochloric Acid SCHEMBL2540603 0.81 HSP90AA1 (0.43) RAB9AHSP90AA1PAX8KDM4ETLR9
SCHEMBL27618034 0.78 MAOB (0.39) RAB9AKDM4ETSHRLMNAPOLB
SCHEMBL27618083 0.78 ALDH1A1 (0.46) RAB9ALMNAPOLBKCNH2ALDH1A1
SCHEMBL10069075 0.78 MAPT (0.47) RAB9AKDM4ETSHRLMNATP53
SCHEMBL6011774 0.77 ALDH1A1 (0.53) RAB9ATSHRTP53POLBALDH1A1
SCHEMBL27637229 0.77 GAA (0.45) LMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL10069713 0.76 ALDH1A1 (0.49) RAB9ATSHRTP53POLBALDH1A1

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
CN-1756740-A Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl group ASTELLAS PHARMA INC (JP) 2006-04-05 CN disclosed