SCHEMBL11062033

SCHEMBL11062033

C=C(C)C(=O)OC(COC(=O)c1ccccc1C(=O)OCC(OC(=O)C(=C)C)C(C)O)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 3/20 0.42
CA2 P00918 1/20 0.42
ADRB2 P07550 7/20 0.41
ADRB1 P08588 7/20 0.41
ADRB3 P13945 7/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 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
SCHEMBL11045498 0.84 ALDH1A1 (0.44) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL25424391 0.84 TSHR (0.54) TSHRALDH1A1CYP3A4CA2ADRB2
SCHEMBL3915386 0.84 TSHR (0.63) TSHRALDH1A1CYP3A4CA2ADRB2
SCHEMBL751504 0.83 TSHR (0.54) TSHRALDH1A1CYP3A4CA2ADRB2
SCHEMBL28634846 0.82 TSHR (0.56) TSHRALDH1A1CYP3A4CA2ADRB2
SCHEMBL3268991 0.81 TSHR (0.51) TSHRALDH1A1CYP3A4CA2ADRB2
SCHEMBL25438702 0.81 TSHR (0.51) TSHRALDH1A1CYP3A4CA2ADRB2
SCHEMBL8610885 0.81 TSHR (0.54) TSHRALDH1A1CYP3A4CA2ADRB2
SCHEMBL3678515 0.80 TSHR (0.60) TSHRALDH1A1TDP1
SCHEMBL2531577 0.80 TSHR (0.56) TSHRALDH1A1CYP3A4CA2ADRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4481280-A Photosensitive polyamide resin composition TORAY INDUSTRIES, INC. (JP) 1984-11-06 US claimed
US-4481280-A Photosensitive polyamide resin composition TORAY INDUSTRIES, INC. (JP) 1984-11-06 US disclosed
EP-0036301-A1 Photosensitive polyamide resin composition TORAY INDUSTRIES, INC. (JP) 1981-09-23 EP disclosed