SCHEMBL19825336

SCHEMBL19825336

CCC(=O)COC(=O)c1ccc(OC)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TDP1 Q9NUW8 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PABPC1 P11940 1/20 0.39
▸ EIF4H Q15056 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL19825337 0.84 TSHR (0.45) TSHRALDH1A1GLAHDAC4HDAC6
SCHEMBL28817917 0.83 HDAC4 (0.57) TSHRALDH1A1GLAHDAC4HDAC6
SCHEMBL19825409 0.83 TSHR (0.44) TSHRALDH1A1GLAHDAC4HDAC6
SCHEMBL28817945 0.81 ALDH1A1 (0.47) TSHRALDH1A1GLAHDAC4HDAC6
SCHEMBL19821452 0.80 MEN1 (0.64) TSHRALDH1A1TDP1KMT2AMAPT
SCHEMBL11985077 0.78 TSHR (0.50) TSHRALDH1A1TDP1KMT2AL3MBTL1
SCHEMBL19442031 0.76 HTT (0.40) TSHRALDH1A1GLAHDAC4HDAC6
SCHEMBL19442049 0.76 HTT (0.58) TSHRALDH1A1KMT2AHTTL3MBTL1
SCHEMBL19825249 0.76 HDAC4 (0.40) TSHRALDH1A1GLAHDAC4HDAC6
SCHEMBL19442076 0.75 HDAC4 (0.41) TSHRALDH1A1GLAHDAC4HDAC6

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
WO-2018022797-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE DERMIRA INC. (US) 2018-02-01 — — WO disclosed
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