SCHEMBL18949239

SCHEMBL18949239

C=C(C)C(=O)OCC(O)COC(=O)c1ccccc1-c1ccccc1C(=O)OCC(O)COC(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ ADRB2 P07550 15/20 0.43
▸ ADRB1 P08588 15/20 0.43
▸ ADRB3 P13945 15/20 0.43
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL16193204 0.94 TSHR (0.47) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL22667518 0.88 TSHR (0.49) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL2531577 0.87 TSHR (0.56) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12018013 0.86 SCN1A (0.48) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL19316669 0.85 TSHR (0.40) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL19316647 0.83 TSHR (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL19316649 0.83 TSHR (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL22058363 0.83 TSHR (0.45) TSHRALDH1A1TP53NPC1HTT
SCHEMBL9812643 0.82 TSHR (0.46) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL10963020 0.82 ALDH1A1 (0.50) TSHRALDH1A1ADRB2ADRB1ADRB3

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-9675529-B2 Dental composition containing high refractive index monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-06-13 — — US disclosed
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