SCHEMBL22819902

SCHEMBL22819902

C=CC(=O)OCC(C)COC(=O)c1ccc(-c2ccc(OC(=O)c3ccc(OC(=O)c4ccc(OC(C)COC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TSHR P16473 1/20 0.40
THRB P10828 4/20 0.38
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
SLC1A5 Q15758 1/20 0.36
PRSS1 P07477 2/20 0.35
ACR P10323 2/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTRC Q99895 1/20 0.33

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
SCHEMBL14346612 0.89 MAPT (0.44) MAPTTSHRTHRBADRB2ADRB1
SCHEMBL14346667 0.85 RARB (0.43) MAPTTHRBADRB2ADRB1ADRB3
SCHEMBL14346679 0.83 THRB (0.45) MAPTTSHRTHRBADRB2ADRB1
SCHEMBL14346675 0.83 THRB (0.40) MAPTTSHRTHRBADRB2ADRB1
SCHEMBL75116 0.82 MAPT (0.59) MAPTTSHRTHRBADRB2ADRB1
SCHEMBL14346690 0.82 TSHR (0.44) MAPTTSHRTHRBADRB2ADRB1
SCHEMBL18589716 0.82 TSHR (0.38) MAPTTSHRTHRBADRB2ADRB1
SCHEMBL14346630 0.81 ALDH1A1 (0.42) MAPTTSHRTHRBSMN1; SMN2
SCHEMBL14346686 0.81 KMT2A (0.39) MAPTTSHRTHRBADRB2ADRB1
SCHEMBL16575015 0.80 THRB (0.40) MAPTTHRBADRB2ADRB1ADRB3

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-20200400996-A1 POLARIZER, METHOD OF PRODUCING POLARIZER, LAMINATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2020-12-24 US disclosed