SCHEMBL11055735

SCHEMBL11055735

CCOC(=O)c1ccc(C)c(C(=O)OCC)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 4/20 0.52
CA9 Q16790 4/20 0.52
CA14 Q9ULX7 4/20 0.52
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KMT2A Q03164 3/20 0.42

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
SCHEMBL26126976 0.91 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL11053115 0.86 CA12 (0.57) TSHRCA12CA1CA2CA7
SCHEMBL301812 0.85 TSHR (0.55) TSHRCA12CA1CA2CA7
SCHEMBL5274828 0.85 TSHR (0.59) TSHRCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL28219343 0.84 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL23941176 0.82 TSHR (0.45) TSHRCA12CA1CA2CA7
SCHEMBL11274620 0.82 ALDH1A1 (0.53) TSHRCA12CA1CA2CA7
SCHEMBL28161602 0.82 TSHR (0.65) TSHRCA12CA1CA2CA7
SCHEMBL23941175 0.81 TSHR (0.55) TSHRCA12CA1CA2CA7
SCHEMBL6446351 0.81 ALDH1A1 (0.59) TSHRALDH1A1HSD17B10CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447595-A HAZE-FREE PACKAGING MATERIALS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-05-08 US disclosed
EP-0102913-A2 Polyterephthalates having high clarity and process for making same THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-03-14 EP disclosed