SCHEMBL17658798

SCHEMBL17658798

C=C(C)C(=O)OCCOC(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCCO)C1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
EPHX1 P07099 1/20 0.38
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL25993934 0.96 TSHR (0.63) TSHREPHX1THRBALDH1A1TDP1
SCHEMBL11900914 0.96 TSHR (0.63) TSHREPHX1THRBALDH1A1TDP1
SCHEMBL18123399 0.92 TSHR (0.59) TSHREPHX1THRBALDH1A1ACHE
SCHEMBL18123485 0.92 TSHR (0.59) TSHREPHX1THRBALDH1A1TDP1
SCHEMBL16802929 0.91 TSHR (0.58) TSHREPHX1THRBALDH1A1TDP1
SCHEMBL19847425 0.91 TSHR (0.61) TSHREPHX1THRBALDH1A1TDP1
SCHEMBL21034804 0.91 TSHR (0.61) TSHREPHX1THRBALDH1A1TDP1
SCHEMBL18193272 0.91 TSHR (0.58) TSHREPHX1THRBALDH1A1TDP1
SCHEMBL18556477 0.91 TSHR (0.71) TSHREPHX1THRBALDH1A1TDP1
SCHEMBL20094927 0.91 TSHR (0.60) TSHREPHX1THRBALDH1A1ACHE

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-9724850-B2 Method of manufacturing an artificial elastic implant for restorative an reconstructive surgery ICONLAB, USA, INC. (US) 2017-08-08 US disclosed
US-20160096292-A1 Method of Manufacturing an Artificial Elastic Implant for Restorative an Reconstructive Surgery ICONLAB, USA, INC. 2016-04-07 US disclosed