SCHEMBL28295326

SCHEMBL28295326

CC=CC(=O)Oc1c(OCC)cc(C2(c3cc(OCC)c(OC(=O)C=CC)c(CCC)c3OCC)c3ccccc3-c3ccccc32)c(OCC)c1CCC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 3/20 0.33
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP1B1 Q16678 1/20 0.31
GLA P06280 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PDK2 Q15119 3/20 0.31
AKR1C3 P42330 1/20 0.31
NPC1 O15118 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
SLC2A1 P11166 1/20 0.30

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
SCHEMBL28295194 0.86 LMNA (0.31) MAPT
SCHEMBL6323480 0.83 TSHR (0.33) L3MBTL1TSHRGLATP53MAPT
SCHEMBL4951714 0.81 ESR1 (0.36) L3MBTL1TSHRGLATP53MAPT
SCHEMBL28293429 0.81 PDK2 (0.35) MAPTPDK2AKR1C3NPC1
SCHEMBL4131087 0.79 PDK2 (0.34) PDK2
SCHEMBL557052 0.77 TSHR (0.36) L3MBTL1TSHRGLATP53MAPT
SCHEMBL6328897 0.74 TSHR (0.34) L3MBTL1TSHRGLATP53MAPT
SCHEMBL28295260 0.74 HTR1A (0.43) TSHRCYP1A2CYP2D6MAPT
SCHEMBL6324382 0.74 PDK2 (0.34) PDK2
SCHEMBL27588781 0.73 TSHR (0.39) L3MBTL1TSHRCYP1A1CYP1A2CYP2D6

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-109790258-A Solidification compound and solidfied material AGC株式会社 2019-05-21 CN disclosed